기본 정보
- CAS
1001567-71-0- 표준 SMILES
Cn1nc(C(F)(F)F)cc1-c1n[nH]c(=S)n1C- InChIKey
BOMZGKVMGIOOBS-UHFFFAOYSA-N- 분자식
- C8H8F3N5S
- 평균 분자량
- 263.25 g/mol
- 단동위원소 질량
- 263.04525094
이름 및 식별자
- 우선 이름
- 4-Methyl-5-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
- IUPAC
- 4-methyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-1,2,4-triazole-5-thione
이름 및 동의어
1001567-71-04-Methyl-5-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol4-methyl-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazole-3-thiol4-methyl-3-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1H-1,2,4-triazole-5-thioneMFCD034216934-Methyl-5-(2-methyl-5-trifluoromethyl-2H-pyrazol-3-yl)-4H-[1,2,4]triazole-3-thiolDTXSID301116223SBB020626STK312624AKOS000308132CS-0300570EN300-228493
이름 더 보기
4-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2,4-triazole-3-thiol4-METHYL-5-[2-METHYL-5-(TRIFLUOROMETHYL)PYRAZOL-3-YL]-1,2,4-TRIAZOLE-3-THIOL2,4-Dihydro-4-methyl-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-3H-1,2,4-triazole-3-thione4-Methyl-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
데이터베이스 식별자
- CAS
1001567-71-0- PubChem CID
- 7015931
- DTXSID
DTXSID301116223
물성
구조 계산 물성
- XLogP
- 1.2
- 극성 표면적
- 77.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 369
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