기본 정보
- CAS
87240-31-1- 표준 SMILES
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1SC(F)F- InChIKey
SXDFGSZLXVWKIJ-UHFFFAOYSA-N- 분자식
- C18H19F2NO4S
- 평균 분자량
- 383.4 g/mol
- 단동위원소 질량
- 383.10028559
이름 및 식별자
- 우선 이름
- 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-((difluoromethyl)thio)phenyl)-2,6-dimethyl-, dimethyl ester
- IUPAC
- dimethyl 4-[2-(difluoromethylsulfanyl)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
- 현지명
- 2,6-디메틸-3,5-디카르보메톡시-4-(o-디플루오로메틸티오페닐)-1,4-디히드로피리딘[프랑스어]
- 영어명
- 2,6-Dimethyl-3,5-dicarbomethoxy-4-(o-difluoromethylthiophenyl)-1,4-dih ydropyridine [French]
- 분자식
- C18H19F2NO4S
- 분자량
- 383.41
이름 및 동의어
87240-31-1BRN 42719473,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-((difluoromethyl)thio)phenyl)-2,6-dimethyl-, dimethyl ester2,6-Dimethyl-3,5-dicarbomethoxy-4-(o-difluoromethylthiophenyl)-1,4-dihydropyridine [French]DTXSID102362322,6-Dimethyl-3,5-dimethoxycarbonyl-4-(o-difluoromethylthiophenyl)-1,4-dihydropyridine2,6-Dimethyl-3,5-dicarbomethoxy-4-(o-difluoromethylthiophenyl)-1,4-dihydropyridineRefChem:272145DTXCID10158723Dimethyl 4-{2-[(difluoromethyl)sulfanyl]phenyl}-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylateSCHEMBL11077639SXDFGSZLXVWKIJ-UHFFFAOYSA-N
이름 더 보기
2,6-디메틸-3,5-디카르보메톡시-4-(o-디플루오로메틸티오페닐)-1,4-디히드로피리딘[프랑스어]2,6-Dimethyl-3,5-dicarbomethoxy-4-(o-difluoromethylthiophenyl)-1,4-dih ydropyridine [French]3,5-Pyridinedicarboxylic acid, 4-[2-[(difluoromethyl)thio]phenyl]-1,4-dihydro-2,6-dimethyl-, 3,5-dimethyl ester
Dimethyl 4-{2-[(difluoromethyl)sulfanyl]phenyl}-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
물성
구조 계산 물성
- XLogP
- 3.8
- 극성 표면적
- 89.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 595
물리화학적 성질
- 녹는점
- 173 · 173-175 °C(Solv: ethanol (64-17-5))
- 끓는 점
- 436.4 · 436.4±45.0 °C(Predicted)
- 밀도
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 2.83 · 2.83±0.70(Predicted)
화학 및 산업
공급사1 곳
HONEST JOY HOLDINGS LIMITED[email protected]
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