기본 정보
- CAS
339016-56-7- 표준 SMILES
O=C(CSc1ccc(C(F)(F)F)cn1)c1ccc(Cc2ncc(C(F)(F)F)cc2Cl)s1- InChIKey
KMJXNURAMTYRKP-UHFFFAOYSA-N- 분자식
- C19H11ClF6N2OS2
- 평균 분자량
- 496.9 g/mol
- 단동위원소 질량
- 495.990552
이름 및 식별자
- 우선 이름
- 1-(5-((3-Chloro-5-(trifluoromethyl)-2-pyridinyl)methyl)-2-thienyl)-2-((5-(trifluoromethyl)-2-pyridinyl)sulfanyl)-1-ethanone
- IUPAC
- 1-[5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]thiophen-2-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone
- 영어명
- 1-(5-([3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]METHYL)-2-THIENYL)-2-([5-(TRIFLUOROMETHYL)-2-PYRIDINYL]SULFANYL)-1-ETHANONE
- 분자식
- C19H11ClF6N2OS2
- 분자량
- 496.88
이름 및 동의어
339016-56-71-(5-((3-Chloro-5-(trifluoromethyl)-2-pyridinyl)methyl)-2-thienyl)-2-((5-(trifluoromethyl)-2-pyridinyl)sulfanyl)-1-ethanone1-(5-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}thiophen-2-yl)-2-{[5-(trifluoromethyl)pyridin-2-yl]sulfanyl}ethan-1-one1-[5-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]thiophen-2-yl]-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylethanoneAKOS0050999937M-008Ethanone, 1-[5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-thienyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]thio]-1-(5-([3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]METHYL)-2-THIENYL)-2-([5-(TRIFLUOROMETHYL)-2-PYRIDINYL]SULFANYL)-1-ETHANONE
데이터베이스 식별자
- CAS
339016-56-7- PubChem CID
- 3750035
물성
구조 계산 물성
- XLogP
- 6.4
- 극성 표면적
- 96.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 623
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