기본 정보
- CAS
1001519-34-1- 표준 SMILES
Cc1nn(C)cc1-c1cc(C(F)F)[nH]c(=S)c1C#N- InChIKey
PAFXMCFOCKTFDG-UHFFFAOYSA-N- 분자식
- C12H10F2N4S
- 평균 분자량
- 280.3 g/mol
- 단동위원소 질량
- 280.05942383
이름 및 식별자
- 우선 이름
- 6-(Difluoromethyl)-4-(1,3-dimethyl-1H-pyrazol-4-yl)-2-mercaptonicotinonitrile
- IUPAC
- 6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)-2-sulfanylidene-1H-pyridine-3-carbonitrile
- 영어명
- 6-DIFLUOROMETHYL-4-(1,3-DIMETHYL-1H-PYRAZOL-4-YL)-2-MERCAPTO-NICOTINONITRILE
- 분자식
- C12H10F2N4S
- 분자량
- 280.3
이름 및 동의어
1001519-34-16-(Difluoromethyl)-4-(1,3-dimethyl-1H-pyrazol-4-yl)-2-mercaptonicotinonitrile6-(difluoromethyl)-4-(1,3-dimethyl-1H-pyrazol-4-yl)-2-sulfanylpyridine-3-carbonitrile6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)-2-sulfanylidene-1H-pyridine-3-carbonitrile6-Difluoromethyl-4-(1,3-dimethyl-1H-pyrazol-4-yl)-2-mercapto-nicotinonitrileMFCD03422741SBB020966STK313343AKOS000305397CS-0282576EN300-2287396-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)-2-sulfanyl-pyridine-3-carbonitrile
이름 더 보기
AKOS B014736ART-CHEM-BB B0147363-Pyridinecarbonitrile, 6-(difluoromethyl)-4-(1,3-dimethyl-1H-pyrazol-4-yl)-1,2-dihydro-2-thioxo-
6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)-2-sulfanylpyridine-3-carbonitr ile6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)-2-thioxo-1H-pyridine-3-carbonitrile
물성
구조 계산 물성
- XLogP
- 1.3
- 극성 표면적
- 85.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 517
화학 및 산업
공급사6 곳
Fluorochem Ltd[email protected]
FLRO-SR[email protected]
OAKWOOD[email protected]
ART-CHEM-BB[email protected]
CHEMCOLLECT[email protected]
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