3-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)thio)-5-methylisothiazole-4-carbonitrile
기본 정보
- CAS
338775-63-6- 표준 SMILES
Cc1snc(Sc2ncc(C(F)(F)F)cc2Cl)c1C#N- InChIKey
UISMZCIHOJVXST-UHFFFAOYSA-N- 분자식
- C11H5ClF3N3S2
- 평균 분자량
- 335.8 g/mol
이름 및 식별자
- 우선 이름
- 3-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)thio)-5-methylisothiazole-4-carbonitrile
- IUPAC
- 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-5-methyl-1,2-thiazole-4-carbonitrile
- 영어명
- 3-{[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]thio}-4-cyano-5-methylisothiazole 97%
- 분자식
- C11H5ClF3N3S2
- 분자량
- 335.76
이름 및 동의어
338775-63-63-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)thio)-5-methylisothiazole-4-carbonitrile3-[3-chloro-5-(trifluoromethyl)pyridin-2-ylthio]-4-cyano-5-methylisothiazole3-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-sulfanyl}-5-methyl-4-isothiazolecarbonitrileMFCD002443133-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-5-methyl-1,2-thiazole-4-carbonitrile3-{[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]thio}-4-cyano-5-methylisothiazole3-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-5-methyl-4-isothiazolecarbonitrile3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}-5-methyl-1,2-thiazole-4-carbonitrile3-([3-chloro-5-(trifluoromethyl)-2-pyridinyl]-sulfanyl)-5-methyl-4-isothiazolecarbonitrile3-([3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl)-5-methyl-4-isothiazolecarbonitrile3-([3-chloro-5-(trifluoromethyl)pyridin-2-yl]thio)-4-cyano-5-methylisothiazole
이름 더 보기
3-{[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]thio}-4-cyano-5-methylisothiazole97%3-{[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]thio}-4-cyano-5-methylisothiazole 97%4-Isothiazolecarbonitrile, 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]-5-methyl-
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-5-methyl-4-isothiazolecarbonitrileC11H5ClF3N3S23-[3-chloro-5-(trifluoromethyl)pyrid-2ylthio]-4-cyano-5-methylisothiazoleAKOS005069937CS-03327802L-0513-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]sulfanyl]-5-methyl-isothiazole-4-carbonitrile
데이터베이스 식별자
- CAS
338775-63-6
물성
구조 계산 물성
- XLogP
- 4.3
- 극성 표면적
- 103 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 400
물리화학적 성질
- 녹는점
- 122 °C · 122.00°C - 125.00°C
- 끓는 점
- 305.8 · 305.8±42.0 °C(Predicted)
- 밀도
- 1.6 · 1.60±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -3.73 · -3.73±0.49(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- HS 번호
- 2934100090
관련 반응
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