기본 정보
- CAS
321432-69-3- 표준 SMILES
CC(=NN=C(C)c1ccc(Cc2ncc(C(F)(F)F)cc2Cl)s1)c1ccc(Cc2ncc(C(F)(F)F)cc2Cl)s1- InChIKey
WTMHFLROXKPDNZ-UHFFFAOYSA-N- 분자식
- C26H18Cl2F6N4S2
- 평균 분자량
- 635.5 g/mol
- 단동위원소 질량
- 634.0254133
이름 및 식별자
- 우선 이름
- 1-[5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]thiophen-2-yl]-N-[1-[5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]thiophen-2-yl]ethylideneamino]ethanimine
- IUPAC
- 1-[5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]thiophen-2-yl]-N-[1-[5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]thiophen-2-yl]ethylideneamino]ethanimine
- 영어명
- 1-(5-([3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]METHYL)-2-THIENYL)-1-ETHANONE N-[1-(5-([3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]METHYL)-2-THIENYL)ETHYLIDENE]HYDRAZONE
- 분자식
- C26H18Cl2F6N4S2
- 분자량
- 635.48
이름 및 동의어
1-(5-([3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]METHYL)-2-THIENYL)-1-ETHANONE N-[1-(5-([3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]METHYL)-2-THIENYL)ETHYLIDENE]HYDRAZONEEthanone, 1-[5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-thienyl]-, 2-[1-[5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-thienyl]ethylidene]hydrazone3-chloro-2-({5-[(1E)-1-[(E)-2-[1-(5-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}thiophen-2-yl)ethylidene]hydrazin-1-ylidene]ethyl]thiophen-2-yl}methyl)-5-(trifluoromethyl)pyridine
데이터베이스 식별자
- CAS
321432-69-3- PubChem CID
- 3659204
물성
구조 계산 물성
- XLogP
- 8.6
- 극성 표면적
- 107 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 849
물리화학적 성질
- 끓는 점
- 591.5 · 591.5±50.0 °C(Predicted)
- 밀도
- 1.48 · 1.48±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 6.97 · 6.97±0.50(Predicted)
화학 및 산업
공급사2 곳
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
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