기본 정보
- 표준 SMILES
Cn1c(-c2ccc(C(F)(F)F)cc2)n[nH]c1=S- InChIKey
DKVSTVJWBIXAQZ-UHFFFAOYSA-N- 분자식
- C10H8F3N3S
- 평균 분자량
- 259.25 g/mol
이름 및 식별자
- 우선 이름
- 4-Methyl-5-(4-trifluoromethyl-phenyl)-4H-[1,2,4]triazole-3-thiol
- IUPAC
- 4-methyl-3-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione
이름 및 동의어
848080-01-34-Methyl-5-(4-trifluoromethyl-phenyl)-4H-[1,2,4]triazole-3-thiolMFCD019404194-methyl-3-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione4-methyl-5-[4-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione4-Methyl-5-(4-(trifluoromethyl)phenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thioneSCHEMBL2316369AKOS017548009F5457294-Methyl-5-(4-trifluoromethylphenyl)-4H-[1,2,4]triazole-3-thiol4-methyl-5-(4-trifluoromethylphenyl)-2,4-dihydro-3h-1,2,4-triazole-3-thione
데이터베이스 식별자
- PubChem CID
- 79014777
물성
구조 계산 물성
- XLogP
- 2.5
- 극성 표면적
- 59.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 345
관련 반응
2건
화합물 노트
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