기본 정보
- CAS
24854-43-1- 표준 SMILES
Cn1cn[nH]c1=S- InChIKey
AGWWTUWTOBEQFE-UHFFFAOYSA-N- 분자식
- C3H5N3S
- 평균 분자량
- 115.16 g/mol
- 단동위원소 질량
- 115.02041816
이름 및 식별자
- 우선 이름
- 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-methyl-
- IUPAC
- 4-methyl-1H-1,2,4-triazole-5-thione
- 현지명
- 4-메틸-1,2,4-트리아졸-3-티올
- 영어명
- 4-Methyl-1,2,4-triazole-3-thiol
- 분자식
- C3H5N3S
- 분자량
- 115.16
이름 및 동의어
24854-43-14-Methyl-4H-1,2,4-triazole-3-thiol3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-methyl-EINECS 246-496-42,4-Dimethyl-4-methyl-3H-1,2,4-triazole-3-thione1,4-Dihydro-4-methyl-3H-1,2,4-triazole-3-thioneDTXSID30670273H-1,2,4-Triazole-3-thione, 1,4-dihydro-4-methyl-RefChem:505604DTXCID4037160246-496-43-Mercapto-4-methyl-4H-1,2,4-triazole
이름 더 보기
4-메틸-1,2,4-트리아졸-3-티올TIMTEC-BB SBB0075783-Mercapto-4-methyl-4H-1,2,4-t4-Methyl-3-mercapto-1,2,4-triazoleMERCAPTO(3-)-4-METHYL-1,2,4-TRIAZOLE4-Methyl-4H-3-mercapto-1,2,4-triazole
3-Mercapto-4-methyl-1,2,4-triazole4-methyl-1,2,4-triazole-3-thiol4-methyl-1H-1,2,4-triazole-5-thioneMFCD000100692,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione4-methyl-4,5-dihydro-1H-1,2,4-triazole-5-thione4-Methyl-1,2,4-triazolethione4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
데이터베이스 식별자
- CAS
24854-43-1- PubChem CID
- 1256162
- DTXSID
DTXSID3067027- ChEMBL
CHEMBL2398113- UNII
- L6B4SCC7QJ
- EC Number
- 246-496-4
- Nikkaji
- J101.013A
물성
구조 계산 물성
- XLogP
- 0
- 극성 표면적
- 59.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 7
- 형식 전하
- 0
- 복잡도
- 119
물리화학적 성질
- 녹는점
- 165 · 165-169°C
- 끓는 점
- 135.3 · 135.3±23.0 °C(Predicted)
- 밀도
- 1.44 · 1.44±0.1 g/cm3(Predicted)
- 저장 조건
- Inert atmosphere,Room Temperature
- 용해도
- 2.5 %, · 아세톤: 용해성 2.5%, 투명, 무색 내지 희미한 노란색
- 물리적 상태
- powder to crystal
- 산도 계수 (pKa)
- 9.73 · 9.73±0.20(Predicted)
- 색상
- 흰색에서 밝은 노란색
- BRN
- 110580 · 110580
- InChI
- InChI=1S/C3H5N3S/c1-6-2-4-5-3(6)7/h2H,1H3,(H,5,7)
- InChIKey
- AGWWTUWTOBEQFE-UHFFFAOYSA-N
- SMILES
- N1=CN(C)C(=S)N1
- EPA
- 3 H-1,2,4-Triazole-3-thione, · 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-methyl- (24854-43-1)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- XZ5359126
- HS 번호
- 2933998090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- 기존화학 물질
- KE-11552
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
General Manufacturing Information3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-methyl-: ACTIVE
응용 분야
일반 설명4-Methyl-4H-1,2,4-triazole-3-thiol reacts with ethyl bromoacetate to yield ethyl[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate. Electrochemically anticorrosive behavior of self-assembled monolayers of 4-methyl-4H-1,2,4-triazole-3-thiol on the silver electrode has been studied by electrochemical impedance spectroscopy and polarization measurements.
공급사84 곳
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
江苏星科元信息科技有限公司400-605-7200 15335295587 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
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