기본 정보
- CAS
6232-82-2- 표준 SMILES
Cc1n[nH]c(=S)n1-c1ccccc1- InChIKey
VITIJXJNRKRDKF-UHFFFAOYSA-N- 분자식
- C9H9N3S
- 평균 분자량
- 191.26 g/mol
- 단동위원소 질량
- 191.05171847
이름 및 식별자
- 우선 이름
- 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-methyl-4-phenyl-
- IUPAC
- 3-methyl-4-phenyl-1H-1,2,4-triazole-5-thione
- 영어명
- 2,4-Triazole-3-thione,2,4-dihydro-5-methyl-4-phenyl-3H-1
- 분자식
- C9H9N3S
- 분자량
- 191.25
이름 및 동의어
3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-methyl-4-phenyl-2,4-Dihydro-5-methyl-4-phenyl-3H-1,2,4-triazole-3-thioneEINECS 228-342-84H-1,2,4-Triazole-3-thiol, 5-methyl-4-phenyl-DTXSID20641531,2,4-Triazole, 3-mercapto-4-phenyl-5-methyl-.DELTA.2-1,2,4-Triazoline-5-thione, 3-methyl-4-phenyl-RefChem:95715DTXCID8043315DELTA2-1,2,4-Triazoline-5-thione, 3-methyl-4-phenyl-228-342-8VITIJXJNRKRDKF-UHFFFAOYSA-N
이름 더 보기
4-triazole-3-thione,2,4-dihydro-5-methyl-4-phenyl-3h-25-METHYL-4-PHENYL-2,4-DIHYDRO-3H-1,2,4-TRIAZOLE-3-THIONE2,4-Triazole-3-thione,2,4-dihydro-5-methyl-4-phenyl-3H-1
6232-82-25-methyl-4-phenyl-4H-1,2,4-triazole-3-thiol3-methyl-4-phenyl-1H-1,2,4-triazole-5-thione5-Methyl-4-phenyl-4H-1,2,4-triazol-3-yl hydrosulfideMFCD001861703-Methyl-4-phenyl-1H-1,2,4-triazole-5(4H)-thione5-methyl-4-phenyl-1,2,4-triazole-3-thiol3-Mercapto-5-methyl-4-phenyl-1,2,4-triazole
데이터베이스 식별자
- CAS
6232-82-2- PubChem CID
- 785151
- DTXSID
DTXSID2064153- ChEMBL
CHEMBL1597849- UNII
- EV89LV9G94
- EC Number
- 228-342-8
- Nikkaji
- J39.089E
물성
구조 계산 물성
- XLogP
- 1.5
- 극성 표면적
- 59.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 243
실험 및 물리화학적 성질
Solubility24.7 [ug/mL] (The mean of the results at pH 7.4)
물리화학적 성질
- EPA
- 3 H-1,2,4-Triazole-3-thione, · 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-methyl-4-phenyl- (6232-82-2)
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 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
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing Information3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-methyl-4-phenyl-: INACTIVE
공급사1 곳
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