알릴티오우레아

Allylthiourea

HCID 1549517CAS 109-57-9

기본 정보

표준 SMILES
C=CCNC(N)=S
InChIKey
HTKFORQRBXIQHD-UHFFFAOYSA-N
분자식
C4H8N2S
평균 분자량
116.19 g/mol
단동위원소 질량
116.04081926

개요

Allylthiourea is a white crystalline solid with a slight garlic odor. (NTP, 1992)

이름 및 식별자

우선 이름
Allylthiourea
IUPAC
prop-2-enylthiourea
현지명
알릴티오우레아
영어명
N-Allylthiourea
분자식
C4H8N2S
분자량
116.18

이름 및 동의어

ALLYLTHIOUREAN-Allylthiourea109-57-9Thiosinamine1-Allyl-2-thiourea1-AllylthioureaRhodallineThiosinaminAminosinRhodallinAllylthiocarbamideThiosinaminum
이름 더 보기
알릴티오우레아알릴티오요소u19571Rhodalin
ThiocynamineTiosinamine(2-Propenyl)thioureaAllylthioureeAliltioureaUrea, 1-allyl-2-thio-DTXSID3024449U 19571

데이터베이스 식별자

CAS
109-57-9
PubChem CID
1549517
DTXSID
DTXSID3024449
ChEMBL
CHEMBL1451910
ChEBI
CHEBI:74079
UNII
706IDJ14B7
EC Number
203-683-5
Nikkaji
J2.432E

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
2
무거운 원자 수
7

실험 및 물리화학적 성질

SpringerMaterials PropertiesCrystal structure
Density1.11 to 1.22 (NTP, 1992)
Solubility · 2건

10 to 50 mg/mL at 67.1 °F (NTP, 1992)

>17.4 [ug/mL] (The mean of the results at pH 7.4)

Melting Point158 to 172 °F (NTP, 1992)
Physical DescriptionAllylthiourea is a white crystalline solid with a slight garlic odor. (NTP, 1992)

물리화학적 성질

녹는점
70 · 70-72 °C(lit.)
끓는 점
191.3 · 191.3±33.0 °C(Predicted)
밀도
1.11 g/mL · 1.11 g/mL at 25 °C(lit.)
굴절률
1.5936 · 1.5936 (estimate)
저장 조건
30 °C · Store below +30°C.
용해도
2 O: · H2O: 용해성30부
화학적 성질 · 1건

white crystals or powder. Melting point 76~78.5 ℃, relative density is 1.110, soluble in water and ethanol, slightly soluble in ethanol, insoluble in benzene, with a garlic odor. It is used as an additive for cyanide-free copper plating to increase the brightness and corrosion resistance of plated products.

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (99.5%): 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 197 reports by companies from 6 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 2건

Chemical: Thiourea, 2-propenyl-

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

DOT LabelPoison
Fire HazardsFlash point data are not available for this chemical, but it is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Contact eczema due to sensitization in humans has been reported. (NTP, 1992)
Reactive GroupAmides and Imides
Reactivity Profile · 1건

ALLYLTHIOUREA may react vigorously with strong oxidizing agents. Can react exothermically with reducing agents (such as alkali metals and hydrides) to release gaseous hydrogen. May react exothermically with both acids and bases. May generate flammable gases in combination with aldehydes, nitrides, and hydrides. Incompatible with peroxides and acid halides.

안전 및 보호

Fire FightingFires involving this compound should be controlled using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1건

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1건

SMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Isolation and EvacuationExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Personal Protective Equipment (PPE) · 1건

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

안전 데이터

wgk
2
tsca
TSCA listed
rtecs
YR8050000
ridadr
UN 2811 6.1/PG 3
독성
LD50 orally in rats: 200 mg/kg (Dieke)
HS 번호
29309070

화학 및 산업

용도 및 제조

General Manufacturing InformationThiourea, N-2-propen-1-yl-: ACTIVE
응용 분야 · 2건

용도N-Allylthiourea is a nitrification inhibitor used in the study on the transformation of diclofenac, naproxen and bisoprolol under aerobic and anaerobic conditions. It is also used in medicine to minimize scar tissue in order to fight against a type of dermatitis. Further, it inhibits the growth of transplanted tumors in mice. It acts as a chelating agent. In addition, it is used in cosmetics, preservative and in organic synthesis.

일반 설명White crystalline solid with a slight garlic odor.

제조 방법 · 1건

In the presence of potassium iodide, in ethanol solution, chloropropene is reacted with sodium thiocyanide to form allyl isothiocyanate, which is then ammoniated in ammonium hydroxide solution, concentrated, cooled and crystallized, filtered, washed, and recrystallized in ethanol or water to produce Allylthiourea.

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]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
爱斯特(成都)生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

추가 설명

정의ChEBI: Allylthiourea is a thiourea with a prop-2-enyl group attached to one of the amines. It has a role as a metabolite. It is functionally related to a thiourea.

관련 반응

5건

연결된 노트

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