Ethylthiourea

HCID 3032338

기본 정보

CAS
625-53-6
표준 SMILES
CCNC(N)=S
InChIKey
GMEHFXXZSWDEDB-UHFFFAOYSA-N
분자식
C3H8N2S
평균 분자량
104.18 g/mol
단동위원소 질량
104.04081926

개요

N-ethylthiourea is a member of the class of thioureas that is thiourea in which one of the hydrogens is replaced by an ethyl group. It is functionally related to a thiourea.

이름 및 식별자

우선 이름
Ethylthiourea
IUPAC
ethylthiourea
영어명
Ethylthiourea
분자식
C3H8N2S
분자량
104.17

이름 및 동의어

EthylthioureaN-ETHYLTHIOUREA625-53-61-EthylthioureaThiourea, ethyl-1-Ethyl-2-thioureaN-EthylthiocarbamideEthyl-2-thioureaEthyl thioureaUrea, 1-ethyl-2-thio-Thiourea, N-ethyl-U54OR2E97E
이름 더 보기
Nsc62921Ethylthiourea,99%1-ethyl-2-thio-ure
NSC-62921DTXSID0060804CHEBI:188349RefChem:830025DTXCID2043371210-899-3ENT 61326MFCD00004939

데이터베이스 식별자

CAS
625-53-6
PubChem CID
3032338
DTXSID
DTXSID0060804
ChEMBL
CHEMBL116961
ChEBI
CHEBI:188349
UNII
U54OR2E97E
EC Number
210-899-3
Nikkaji
J54.440J

물성

구조 계산 물성

XLogP
-0.2
극성 표면적
70.1 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
1
회전 가능 결합 수
1
무거운 원자 수
6

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Thiourea Compounds
SpringerMaterials PropertiesDiamagnetic susceptibility
LogP · 2건

log Kow= -0.21 (exp)

-0.21

SolubilityWater solubility= 23,857 mg/l
Vapor Pressure0.67 [mmHg]
Henry's Law ConstantHenry's Law constant= 2.35X10-8 atm-cu m/mole @ 25 °C

물리화학적 성질

녹는점
108 · 108-110 °C(lit.)
끓는 점
132 °C · 132 °C
밀도
1.055 · 1.055 (estimate)
굴절률
1.55 · 1.5500 (estimate)
저장 조건
Store at RT
용해도
25 mg/mL, · 메탄올: 용해성25mg/mL, 투명, 무색

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 2 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory InformationThiourea, ethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards SummaryAn irritant; [Alfa Aesar MSDS]
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Shipment Methods and Regulations · 1건

No person may /transport,/ offer or accept a hazardous material for transportation in commerce unless that material is properly classed, described, packaged, marked, labeled, and in condition for shipment as required or authorized by ... /the hazardous materials regulations (49 CFR 171-177)./

독성 정보

Environmental Fate · 3건

TERRESTRIAL FATE: The estimated Koc(1,SRC) indicates that N-ethylthiourea may be highly mobile in soil(2). The estimated low value for Henry's Law constant(3) suggests that volatilization of N-ethylthiourea from moist soil would not be important(SRC).

AQUATIC FATE: Thiourea was found to be stable towards hydrolysis and photolysis. Therefore, hydrolysis and photolysis of N-ethylthiourea, which is structurally similar to thiourea, may not be important(SRC). Based on the estimated low value of 18(2,SRC) for Koc, adsorption of N-ethylthiourea to suspended solids and sediment should not be important and N-ethylthiourea should be present mostly in the aquatic phase in water(SRC). The estimated BCF value of less than 1(2,SRC) indicates that N-ethylthiourea would not bioconcentrate in aquatic organisms in water. Based on the estimated value of Henry's Law constant (H) of 2.35X10-8 atm-cu m/mole at 25 °C(3) and the volatility characteristics associated with H(2), volatilization of N-ethylthiourea from water would not be important(SRC).

ATMOSPHERIC FATE: Based on an estimation method(1), the rate constant for the reaction of vapor-phase N-ethylthiourea with photochemically generated hydroxyl radicals in the atmosphere is 9.96X10-11 cu cm/molecule-sec. Assuming the daily average concn of hydroxyl radicals in the atmosphere as 5X10+5/cu cm(2), the half-life for the reaction would be 4 hr. Based on a water solubility of 23,857 mg/l(SRC) estimated from the experimental log Kow value of -0.21(3) and a regression equation(4), wet deposition may partly remove N-ethylthiourea from the atmosphere(SRC). If present in particulate form, N-ethylthiourea may also be removed from the atmosphere by dry deposition(SRC).

Soil Adsorption/Mobility · 1건

Based upon an experimental value of -0.21 for log Kow(1), the Koc for N-ethylthiourea can be estimated to be 18 from a linear regression-derived equation(2,SRC). This estimated Koc suggests that N-ethylthiourea will be highly mobile in soil(3,SRC).

Human Toxicity Excerpts · 1건

In the manufacture of rubber, irritant contact dermatitis may occur from a variety of acids, alkalies, detergents, and solvents used in the process. Allergic contact dermatitis occurs not infrequently and is almost always due to an organic accelerator or antioxidant. While the list of potential sensitizing accelerators and antioxidants is enormous, common allergens include ... thioureas. /Thioureas/

Artificial Pollution Sources · 1건

Since N-ethylthiourea can be used as a corrosion inhibitor for metal, as a bactericide, as a photographic chemical agent and as a chemical intermediate(1), release to the environment may occur during waste disposal from its production and use(SRC).

Environmental BioconcentrationBased on a log Kow value of -0.21(1), the BCF for N-ethylthiourea can be estimated to be less than 1 from a regression-derived equation(2). Thus bioconcentration should not be important in aquatic organisms(SRC).
Volatilization from Water/Soil · 1건

The Henry's Law constant for N-ethylthiourea can be estimated to be approximately 2.35X10-8 atm-cu m/mole at 25 °C using a chemical structure estimation method(1,SRC). Based on this value and the volatility characteristics associated with Henry's Law constant(2), N-ethylthiourea should be less volatile than water.

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
YT3700000
ridadr
UN 2811 6.1/PG 3
독성
mouse,LDLo,oral,500mg/kg (500mg/kg),Teratology, The International Journal of Abnormal Development. Vol. 23, Pg. 335, 1981.
risk_code
25

화학 및 산업

용도 및 제조

Uses · 3건

Used as a metal corrosion inhibitor, bactericide, photographic chemical, and chemical intermediate; [HSDB]

Photographic Processing [Category: Other]

N-ethylthiourea can be used as a corrosion inhibitor for metal, as a bactericide, as a photographic chemical agent and as a chemical intermediate.

General Manufacturing InformationThiourea, N-ethyl-: INACTIVE
응용 분야 · 2건

용도N-Ethylthiourea was used in the preparation of Re (III) complexes, which are precursors for the new rhenium complexes, potentially useful in nuclear medicine. It was also used in two-step protocol for the first chemoselective cleavage of 2-hydroxy acid amides

일반 설명N-Ethylthiourea forms adduct with silver halides and their single crystal X-ray structural and spectroscopic characterizations are described.

상·하류 제품 정보

공급사83 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]

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