4-methyl-5-(5-methyl-4-phenylthien-3-yl)-4H-1,2,4-triazole-3-thiol
기본 정보
- CAS
847503-30-4- 표준 SMILES
Cc1scc(-c2n[nH]c(=S)n2C)c1-c1ccccc1- InChIKey
VVBADVQNDGSUSZ-UHFFFAOYSA-N- 분자식
- C14H13N3S2
- 평균 분자량
- 287.4 g/mol
- 단동위원소 질량
- 287.05508977
이름 및 식별자
- 우선 이름
- 4-methyl-5-(5-methyl-4-phenylthien-3-yl)-4H-1,2,4-triazole-3-thiol
- IUPAC
- 4-methyl-3-(5-methyl-4-phenylthiophen-3-yl)-1H-1,2,4-triazole-5-thione
이름 및 동의어
847503-30-44-methyl-5-(5-methyl-4-phenylthien-3-yl)-4H-1,2,4-triazole-3-thiol4-methyl-5-(5-methyl-4-phenylthiophen-3-yl)-4H-1,2,4-triazole-3-thiolMFCD049689244-methyl-3-(5-methyl-4-phenylthiophen-3-yl)-1H-1,2,4-triazole-5-thioneDTXSID101136255ALBB-003512BBL017641STK466135AKOS003367507VS-06356CS-0319361
이름 더 보기
ST50904932H228954-methyl-3-(5-methyl-4-phenyl-3-thienyl)-1H-1,2,4-triazole-5-thione4-methyl-5-(5-methyl-4-phenyl(3-thienyl))-1,2,4-triazole-3-thiol2,4-Dihydro-4-methyl-5-(5-methyl-4-phenyl-3-thienyl)-3H-1,2,4-triazole-3-thione4-Methyl-5-(5-methyl-4-phenylthiophen-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
데이터베이스 식별자
- CAS
847503-30-4- PubChem CID
- 17310932
- DTXSID
DTXSID101136255
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 88 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 390
관련 반응
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