기본 정보
- CAS
309276-89-9- 표준 SMILES
CC(C)OC(=O)c1c(NC(=O)C2C(C=C(Cl)Cl)C2(C)C)sc2c1CCCC2- InChIKey
DNOCEGSLBAMVAA-UHFFFAOYSA-N- 분자식
- C20H25Cl2NO3S
- 평균 분자량
- 430.4 g/mol
- 단동위원소 질량
- 429.0932202
이름 및 식별자
- 우선 이름
- Propan-2-yl 2-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- IUPAC
- propan-2-yl 2-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- 영어명
- isopropyl 2-({[3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- 분자식
- C20H25Cl2NO3S
- 분자량
- 430.39
이름 및 동의어
309276-89-9propan-2-yl 2-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylatemethylethyl 2-{[3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropyl]carbonylamino}-4 ,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylateSTK731440AKOS000577152AKOS022016029ST031088AG-205/13459158isopropyl 2-({[3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateisopropyl 2-(3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylatepropan-2-yl 2-({[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylatepropan-2-yl 2-{[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
이름 더 보기
Benzo[b]thiophene-3-carboxylic acid, 2-[[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]carbonyl]amino]-4,5,6,7-tetrahydro-, 1-methylethyl ester
물성
구조 계산 물성
- XLogP
- 6.5
- 극성 표면적
- 83.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 633
물리화학적 성질
- 끓는 점
- 587.8 · 587.8±50.0 °C(Predicted)
- 밀도
- 1.345 · 1.345±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 13.71 · 13.71±0.20(Predicted)
화학 및 산업
공급사3 곳
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