기본 정보
- CAS
338411-67-9- 표준 SMILES
Cc1ccc(SCC(=O)c2ccc(Cc3ncc(C(F)(F)F)cc3Cl)s2)cc1- InChIKey
HMROTAXNTQNBJR-UHFFFAOYSA-N- 분자식
- C20H15ClF3NOS2
- 평균 분자량
- 441.9 g/mol
- 단동위원소 질량
- 441.0235686
이름 및 식별자
- 우선 이름
- 1-(5-((3-Chloro-5-(trifluoromethyl)-2-pyridinyl)methyl)-2-thienyl)-2-((4-methylphenyl)sulfanyl)-1-ethanone
- IUPAC
- 1-[5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]thiophen-2-yl]-2-(4-methylphenyl)sulfanylethanone
- 영어명
- 1-(5-([3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]METHYL)-2-THIENYL)-2-[(4-METHYLPHENYL)SULFANYL]-1-ETHANONE
- 분자식
- C20H15ClF3NOS2
- 분자량
- 441.92
이름 및 동의어
338411-67-91-(5-((3-Chloro-5-(trifluoromethyl)-2-pyridinyl)methyl)-2-thienyl)-2-((4-methylphenyl)sulfanyl)-1-ethanone1-(5-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}thiophen-2-yl)-2-[(4-methylphenyl)sulfanyl]ethan-1-one1-[5-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]thiophen-2-yl]-2-(4-methylphenyl)sulfanylethanoneAKOS0050882093K-025Ethanone, 1-[5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-thienyl]-2-[(4-methylphenyl)thio]-1-(5-([3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]METHYL)-2-THIENYL)-2-[(4-METHYLPHENYL)SULFANYL]-1-ETHANONE
데이터베이스 식별자
- CAS
338411-67-9- PubChem CID
- 1474329
물성
구조 계산 물성
- XLogP
- 6.7
- 극성 표면적
- 83.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 528
화학 및 산업
공급사2 곳
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
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