기본 정보
- CAS
925179-62-0- 표준 SMILES
Cc1nn(CSc2nnc(C(F)F)n2N)c(C)c1[N+](=O)[O-]- InChIKey
UDSNNHAUPITKHR-UHFFFAOYSA-N- 분자식
- C9H11F2N7O2S
- 평균 분자량
- 319.29 g/mol
- 단동위원소 질량
- 319.06630012
이름 및 식별자
- 우선 이름
- 3-(difluoromethyl)-5-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]thio}-4H-1,2,4-triazol-4-amine
- IUPAC
- 3-(difluoromethyl)-5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazol-4-amine
- 영어명
- 3-DIFLUOROMETHYL-5-(3,5-DIMETHYL-4-NITRO-PYRAZOL-1-YLMETHYLSULFANYL)-[1,2,4]TRIAZOL-4-YLAMINE
- 분자식
- C9H11F2N7O2S
- 분자량
- 319.29
이름 및 동의어
925179-62-03-(difluoromethyl)-5-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]thio}-4H-1,2,4-triazol-4-amine3-(Difluoromethyl)-5-(((3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl)thio)-4H-1,2,4-triazol-4-amineMFCD058616733-(difluoromethyl)-5-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4H-1,2,4-triazol-4-amine3-(difluoromethyl)-5-{[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]sulfanyl}-1,2,4-triazol-4-amine3-Difluoromethyl-5-(3,5-dimethyl-4-nitropyrazol-1-ylmethylsulfanyl)-[1,2,4]triazol-4-ylamine3-(difluoromethyl)-5-([(3,5-dimethyl-4-nitro-1h-pyrazol-1-yl)methyl]sulfanyl)-4h-1,2,4-triazol-4-ami3-(difluoromethyl)-5-([(3,5-dimethyl-4-nitro-1h-pyrazol-1-yl)methyl]thio)-4h-1,2,4-triazol-4-amine3-(difluoromethyl)-5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methylsulfanyl]-1,2,4-triazol-4-amine3-(difluoromethyl)-5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazol-4-amine3-(DIFLUOROMETHYL)-5-[[(3,5-DIMETHYL-4-NITRO-1H-PYRAZOL-1-YL)METHYL]THIO]-4H-1,2,4-TRIAZOL-4-AMINE
이름 더 보기
물성
구조 계산 물성
- XLogP
- 1.3
- 극성 표면적
- 146 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 388
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- hazard_code
- Xi
- 위험 등급
- IRRITANT
화학 및 산업
공급사1 곳
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