테트라메틸 티우람 황화물

Tetramethylthiuram monosulfide

HCID 7347CAS 97-74-5

기본 정보

표준 SMILES
CN(C)C(=S)SC(=S)N(C)C
InChIKey
REQPQFUJGGOFQL-UHFFFAOYSA-N
분자식
C6H12N2S3
평균 분자량
208.4 g/mol
단동위원소 질량
208.01626138

개요

Tetramethylthiuram monosulfide is a Standardized Chemical Allergen. The physiologic effect of tetramethylthiuram monosulfide is by means of Increased Histamine Release and Cell-mediated Immunity.

이름 및 식별자

우선 이름
Tetramethylthiuram monosulfide
IUPAC
dimethylcarbamothioyl N,N-dimethylcarbamodithioate
현지명
테트라메틸 티우람 황화물
영어명
Bis(dimethylthiocarbamyl) sulfide
분자식
C6H12N2S3
분자량
208.37

이름 및 동의어

Tetramethylthiuram monosulfide97-74-5BIS(DIMETHYLTHIOCARBAMOYL) SULFIDEUnadsTMTMMonothiuramMono-thiuradAceto TMTMThiuram MMTMTMSTetramethylthiuram sulfideCyuram MS
이름 더 보기
테트라메틸티우람황화물테트라메틸티우람황화물테트라메틸티우람모노설파이드비스(다이메틸티오카바모일)설파이드티우람모노설파이드비스(디메틸티오카르바밀)설파이드cp2113Thionexekagomtmpennacmsusafb-32
Ekagom TMVulkacit msVulkacit Thiuram MSPennac MSTetramethylthiuramide sulfideTetramethylthiuram monosulphideTetramethylthiurammonium sulfideTetramethylthiuramonosulfide

데이터베이스 식별자

CAS
97-74-5
PubChem CID
7347
DTXSID
DTXSID0021333
ChEMBL
CHEMBL571700
UNII
01W430XXSQ
EC Number
202-605-7
Nikkaji
J3.979I

물성

구조 계산 물성

XLogP
1.7
극성 표면적
96 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
2
무거운 원자 수
11

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15
PolymersPlastics & Rubber -> Rubber Additives
SpringerMaterials PropertiesCrystal structure
OdorOdorless
Density1.37 @ 20 °C
Color/FormYellow powder

물리화학적 성질

녹는점
107 · 107-111 °C (lit.)
끓는 점
260.9 · 260.9±23.0 °C(Predicted)
밀도
1.37 · 1.37
증기압
0.002 Pa · 0.002Pa at 25℃
굴절률
1.4825 · 1.4825 (estimate)
인화점
156 °C · 156 °C

화학적 성질

Yellow powder. Soluble in acetone, benzene, and ethylene dichloride; insoluble in water and gasoline. Combustible.

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H302: Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Warning

H302+H332 (16.3%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation]

P260, P261, P264, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P317, P319, P321, P330, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

유해성 정보

Regulatory Information · 4건

Chemical: Thiodicarbonic diamide ([(H2N)C(S)]2S), tetramethyl-

Thiodicarbonic diamide ([(H2N)C(S)]2S), N,N,N',N'-tetramethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Thiodicarbonic diamide ([(H2N)C(S)]2S), N,N,N',N'-tetramethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

REACH registered substance: Tetramethylthiuram monosulphide (EC: 202-605-7)

Tetramethylthiuram monosulfide: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Methyl and ethyl thiuram monosulfides: Human health tier II assessment
Hazards SummaryA skin sensitizer, based on human patch test studies; [HSDB] May cause skin sensitization; [eChemPortal: ERMA] May cause irritation; [MSDSonline] See Thiuram mix.
RCRA Requirements · 1건

U401; As stipulated in 40 CFR 261.33, when bis(dimethylthiocarbamoyl) sulfide, as a commercial chemical product or manufacturing chemical intermediate or an off-specification commercial chemical product or a manufacturing chemical intermediate, becomes a waste, it must be managed according to Federal and/or State hazardous waste regulations. Also defined as a hazardous waste is any residue, contaminated soil, water, or other debris resulting from the cleanup of a spill, into water or on dry land, of this waste. Generators of small quantities of this waste may qualify for partial exclusion from hazardous waste regulations (40 CFR 261.5).

EPA Hazardous Waste NumberU401; A toxic waste when a discarded commercial chemical product or manufacturing chemical intermediate or an off-specification commercial chemical product or a manufacturing chemical intermediate.
CERCLA Reportable Quantities · 1건

Persons in charge of vessels or facilities are required to notify the National Response Center (NRC) immediately, when there is a release of this designated hazardous substance, in an amount equal to or greater than its reportable quantity of 1 lb (statutory). The toll free number of the NRC is (800) 424-8802; In the Washington D.C. metropolitan area (202) 426-2675. The rule for determining when notification is required is stated in 40 CFR 302.4 (section IV. D.3.b).

안전 및 보호

Disposal MethodsGenerators of waste (equal to or greater than 100 kg/mo) containing this contaminant, EPA hazardous waste number U401, must conform with USEPA regulations in storage, transportation, treatment and disposal of waste.

독성 정보

Interactions · 1건

In adult female wistar rats, pretreated by gavage with 16 or 256 uM/kg cyanamide, tetramethylthiuram disulfide (TMTD), tetramethylthiuram monosulfide (TMTM), ziram or zineb 90 min or 18 hr before admin of 2 g ethanol/kg ip, the blood acetaldehyde levels were significantly incr for 90-240 min after ethanol admin (exceptions were noted after exposure to zineb for 90 min or to low dosed cyanamide for 18 hr). After pretreatment for identical periods with ANTU or ANIT at doses extending into the LD50 range, the blood acetaldehyde levels of rats given the same dose of ethanol remained uninfluenced. The incr in blood acetaldehyde recorded after 16 uM/kg TMTM and TMTD orally remained detectable for up to 48 hr. Onset of the cyanamide action /resulted/ after 45 min. ...

Environmental Fate · 3건

TERRESTRIAL FATE: Based on a recommended classification scheme(1), an estimated Koc value of 10(SRC), determined from a structure estimation method(2), indicates that bis(dimethylthiocarbamoyl) sulfide will have very high mobility in soil(SRC). Based on data for a similar compound, the disulfide (tetramethylthiuram disulfide), bis(dimethylthiocarbamoyl) sulfide is expected to be resistant to aerobic biodegradation in soil(SRC); over a 4 week period, tetramethylthiuram disulfide (at 100 mg/L, sewage inoculum) reached 2.8% of the theoretical BOD(3). Bis(dimethylthiocarbamoyl) sulfide, as a powdered additive placed onto a membrane or resin support and buried in soil, did not support microbial growth over a 3 month period(4). Volatilization of bis(dimethylthiocarbamoyl) sulfide may be important from moist soil surfaces(SRC) given an estimated Henry's Law constant of 1.7X10-5 atm-cu m/mole(5,SRC), but not from dry soil surfaces(SRC), based on an estimated vapor pressure of 2.7X10-4 mm Hg at 25 °C(6,SRC).

AQUATIC FATE: Based on a recommended classification scheme(1), an estimated Koc value of 10(SRC), determined from a structure estimation method(2), indicates that bis(dimethylthiocarbamoyl) sulfide will not adsorb to suspended solids and sediment(SRC) in the water. Based on data for a similar compound, the disulfide (tetramethylthiuram disulfide), bis(dimethylthiocarbamoyl) sulfide is expected to be resistant to aerobic biodegradation(SRC); over a 4 week period, tetramethylthiuram disulfide (at 100 mg/L, sewage inoculum) reached 2.8% of the theoretical BOD(3). Bis(dimethylthiocarbamoyl) sulfide may volatilize from water surfaces based on an estimated Henry's Law constant of 1.7X10-5 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). Estimated half-lives for a model river and model lake are 3 and 28 days, respectively(5,SRC). An estimated BCF value of 2(5,SRC), from an estimated log Kow(6,SRC), suggests that bioconcentration in aquatic organisms is low(SRC), according to a recommended classification scheme(7).

ATMOSPHERIC FATE: According to a suggested classification scheme(1), an estimated vapor pressure of 2.7X10-4 mm Hg at 25 °C(2,SRC) indicates that bis(dimethylthiocarbamoyl) sulfide will exist in both the vapor and particulate phases in the ambient atmosphere. Vapor-phase bis(dimethylthiocarbamoyl) sulfide is degraded in the atmosphere by reaction with photochemically produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be about 3 hours(3,SRC). Particulate-phase bis(dimethylthiocarbamoyl) sulfide may be physically removed from the air by wet and dry deposition(SRC).

Adverse EffectsSkin Sensitizer - An agent that can induce an allergic reaction in the skin.
Soil Adsorption/Mobility · 1건

Using a structure estimation method based on molecular connectivity indexes(1), the Koc for bis(dimethylthiocarbamoyl) sulfide can be estimated to be about 10(SRC). According to a recommended classification scheme(2), this estimated Koc value suggests that bis(dimethylthiocarbamoyl) sulfide has very high mobility in soil(SRC).

Human Toxicity Excerpts · 5건

IN RUBBER INDUSTRY, NUMBER OF CHEMICAL AGENTS USED IN PREPARING RUBBER CAN SENSITIZE EXPOSED WORKERS... THESE INCL ACCELERATORS SUCH AS...TETRAMETHYLTHIURAM MONOSULFIDE...

...ALLERGIC CONTACT DERMATITIS... /RUBBER ACCELERATORS/

SYMPTOMATOLOGY (THE ALCOHOL-INDUCED REACTION ONLY): 1. SENSATION OF HEAT, FLUSHING, VASODILATATION. 2. FALL IN BLOOD PRESSURE, TACHYCARDIA, PALPITATIONS. 3. SEVERE PULSATING HEADACHE, NAUSEA & VOMITING. 4. DYSPNEA, SENSATION OF CONSTRICTION IN THE NECK, CHEST PAIN.

SYMPTOMATOLOGY: 5. HYPOTENSION, SWEATING, THIRST, WEAKNESS, VERTIGO & CONFUSION. ...VISUAL HALLUCINATIONS... 6. CIRCULATORY COLLAPSE, COMA, & DEATH. 7. SEVERE ATYPICAL REACTIONS...MYOCARDIAL INFARCTION, ACUTE CONGESTIVE HEART FAILURE, CARDIAC ARRHYTHMIAS, MARKED RESP DEPRESSION & CONVULSIONS.

For more Human Toxicity Excerpts (Complete) data for BIS(DIMETHYLTHIOCARBAMOYL) SULFIDE (9 total), please visit the HSDB record page.

Artificial Pollution SourcesBis(dimethylthiocarbamoyl) sulfide's production and use as a vulcanization accelerator(1) may result in its release to the environment through various waste streams(SRC).

규제 정보

RCRA Requirements · 1건

U401; As stipulated in 40 CFR 261.33, when bis(dimethylthiocarbamoyl) sulfide, as a commercial chemical product or manufacturing chemical intermediate or an off-specification commercial chemical product or a manufacturing chemical intermediate, becomes a waste, it must be managed according to Federal and/or State hazardous waste regulations. Also defined as a hazardous waste is any residue, contaminated soil, water, or other debris resulting from the cleanup of a spill, into water or on dry land, of this waste. Generators of small quantities of this waste may qualify for partial exclusion from hazardous waste regulations (40 CFR 261.5).

CERCLA Reportable Quantities · 1건

Persons in charge of vessels or facilities are required to notify the National Response Center (NRC) immediately, when there is a release of this designated hazardous substance, in an amount equal to or greater than its reportable quantity of 1 lb (statutory). The toll free number of the NRC is (800) 424-8802; In the Washington D.C. metropolitan area (202) 426-2675. The rule for determining when notification is required is stated in 40 CFR 302.4 (section IV. D.3.b).

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
WQ1750000
ridadr
UN 3077 9/PG 3
독성
LD50 oral in rat: 450mg/kg
HS 번호
29303000

화학 및 산업

약리 정보

FDA Pharmacological Classification · 6건

01W430XXSQ

TETRAMETHYLTHIURAM MONOSULFIDE

Established Pharmacologic Class [EPC] - Standardized Chemical Allergen

Physiologic Effects [PE] - Increased Histamine Release

Physiologic Effects [PE] - Cell-mediated Immunity

Chemical Structure [CS] - Allergens

용도 및 제조

Uses · 4건

Used as a rubber accelerator and in fungicides and insecticides; [Hawley]

Working with Glues and Adhesives [Category: Other]

Vulcanisation accelerator

Booster for thiazoles, especially in nitrile rubbers

U.S. Production · 3건

2023: 100,000 - <250,000 lb

(1972) 1.19X10+9 GRAMS

(1975) 8.93X10+8 GRAMS

Consumption PatternsESSENTIALLY 100% AS AN ACCELERATOR FOR RUBBER VULCANIZATION
Consumer UsesPolymerization promoter
Industry UsesPolymerization promoter
Methods of Manufacturing · 2건

Sodium dimethyldithiocarbamate (reductive coupling)

Bis(dimethylthiocarbamoyl) sulfide is produced by heating tetramethylthiuram disulfide with triphenylphosphine or potassium cyanide. Bis(dimethylthiocarbamoyl) sulfide can also be obtained directly from sodium dimethyldithiocarbamate by reaction with phosgene, or cyanogen chloride. Another method uses the ammonium dithiocarbamate and thiocarbamoyl chloride.

응용 분야

개요Tetramethylthiuram mono sulfide is a rubber accelerator, contained in the "thiuram mix". The most frequent occupational categories are metal industry, homemakers, health services and laboratories, and building industries.

용도Ultraaccelerator for rubber, fungicide, insecticide.

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]

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