4-Ethyl-3-thiosemicarbazide

HCID 1551780

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 13431-34-0
표준 SMILES: CCNC(=S)NN
InChIKey: SKYYTGUCWARUCL-UHFFFAOYSA-N
분자식: C3H9N3S
평균 분자량: 119.19 g/mol
단동위원소 질량: 119.05171829

이름 및 식별자

우선 이름: 4-Ethyl-3-thiosemicarbazide
IUPAC: 1-amino-3-ethylthiourea
영어명: 4-ETHYL-3-THIOSEMICARBAZIDE
분자식: C3H9N3S
분자량: 119.19

이름 및 동의어

4-Ethyl-3-thiosemicarbazideHydrazinecarbothioamide, N-ethyl-EthylthiosemicarbazideEINECS 236-553-1NSC 84217Thiosemicarbazide, 4-ethyl-DTXSID3065451RefChem:98874DTXCID7034202236-553-1SKYYTGUCWARUCL-UHFFFAOYSA-N13431-34-0

이름 더 보기

3-amino-1-ethylthiourea3-amino-1-ethyl-thioureaN-ethylthiosemicarbaziden-ethyl-hydrazinecarbothioamid

N-Ethylhydrazinecarbothioamide1-amino-3-ethylthiourea4-EthylthiosemicarbazideSemicarbazide, 4-ethyl-3-thio-MFCD00007618B 11314-ethyl-thiosemicarbazide(ethylamino)hydrazinomethane-1-thione

데이터베이스 식별자

CAS: 13431-34-0
PubChem CID: 1551780
DTXSID: DTXSID3065451
EC Number: 236-553-1
Nikkaji: J124.116H

물성

구조 계산 물성

XLogP: -0.4
극성 표면적: 82.2 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 7
형식 전하: 0
복잡도: 63.2

물리화학적 성질

녹는점: 82 · 82-84 °C (lit.)
끓는 점: 187.4 · 187.4±23.0 °C(Predicted)
밀도: 1.109 · 1.109 (estimate)
굴절률: 1.58 · 1.5800 (estimate)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa): 10.91 · 10.91±0.70(Predicted)
물리적 상태: 고체
InChI: 1S/C3H9N3S/c1-2-5-3(7)6-4/h2,4H2,1H3,(H2,5,6,7)
InChIKey: SKYYTGUCWARUCL-UHFFFAOYSA-N
SMILES: CCNC(=S)NN
EPA: Hydrazinecarbothioamide, N-ethyl- (13431-34-0)

화학적 성질

white to very slightly yellow fine cryst. powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationHydrazinecarbothioamide, N-ethyl-: INACTIVE

응용 분야

용도4-Ethyl-3-thiosemicarbazide is useful in the synthesis of saccharin which exhibits strong cytotoxic activity against the MCF-7 and MDA-MB-231 human breast cancer cell lines.