기본 정보
- CAS
371940-46-4- 표준 SMILES
CCOC(=O)C1=C(C(=O)OCC)SC(=C2C(=S)C(C)(C)N(C(=O)CC(C)C)c3ccc(OCC)cc32)S1- InChIKey
MRCUEOJIWIJEGZ-UHFFFAOYSA-N- 분자식
- C27H33NO6S3
- 평균 분자량
- 563.8 g/mol
- 단동위원소 질량
- 563.14700129
이름 및 식별자
- 우선 이름
- diethyl 2-(6-ethoxy-2,2-dimethyl-1-(3-methylbutanoyl)-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate
- IUPAC
- diethyl 2-[6-ethoxy-2,2-dimethyl-1-(3-methylbutanoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
- 영어명
- diethyl 2-(6-ethoxy-2,2-dimethyl-1-(3-methylbutanoyl)-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate
- 분자식
- C27H33NO6S3
- 분자량
- 563.75
이름 및 동의어
diethyl 2-(6-ethoxy-2,2-dimethyl-1-(3-methylbutanoyl)-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate371940-46-4diethyl 2-(6-ethoxy-2,2-dimethyl-1-(3-methylbutanoyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylatediethyl 2-[6-ethoxy-2,2-dimethyl-1-(3-methylbutanoyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylateSTK789698AKOS003596878diethyl 2-[6-ethoxy-2,2-dimethyl-1-(3-methylbutanoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylateAJ-292/130952241,3-Dithiole-4,5-dicarboxylic acid, 2-[6-ethoxy-2,3-dihydro-2,2-dimethyl-1-(3-methyl-1-oxobutyl)-3-thioxo-4(1H)-quinolinylidene]-, 4,5-diethyl ester
데이터베이스 식별자
- CAS
371940-46-4- PubChem CID
- 4001366
물성
구조 계산 물성
- XLogP
- 5.7
- 극성 표면적
- 165 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 970
물리화학적 성질
- 끓는 점
- 683.7 · 683.7±65.0 °C(Predicted)
- 밀도
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -1.07 · -1.07±0.40(Predicted)
화학 및 산업
공급사2 곳
PHARMEKS Ltd.[email protected]
SPECS[email protected]
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