기본 정보
- CAS
332073-88-8- 표준 SMILES
COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)c3ccc(C(C)(C)C)cc3)c3c(C)cccc32)S1- InChIKey
RCDHZWCNYFODMS-UHFFFAOYSA-N- 분자식
- C30H31NO5S3
- 평균 분자량
- 581.8 g/mol
이름 및 식별자
- 우선 이름
- Dimethyl 2-[1-(4-tert-butylbenzoyl)-2,2,8-trimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
- IUPAC
- dimethyl 2-[1-(4-tert-butylbenzoyl)-2,2,8-trimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
- 영어명
- dimethyl 2-(1-(4-tert-butylbenzoyl)-2,2,8-trimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate
- 분자식
- C30H31NO5S3
- 분자량
- 581.77
이름 및 동의어
dimethyl 2-{1-[(4-tert-butylphenyl)carbonyl]-2,2,8-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylateSTK010438AKOS000619913dimethyl 2-[1-(4-tert-butylbenzoyl)-2,2,8-trimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylateST50106954AG-690/12889983dimethyl 2-(1-(4-(tert-butyl)benzoyl)-2,2,8-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylatedimethyl 2-(1-(4-tert-butylbenzoyl)-2,2,8-trimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylateDIMETHYL 2-[1-[4-(TERT-BUTYL)BENZOYL]-2,2,8-TRIMETHYL-3-THIOXO-2,3-DIHYDRO-4(1H)-QUINOLINYLIDEN]-1,3-DITHIOLE-4,5-DICARBOXYLATEmethyl 2-(1-{[4-(tert-butyl)phenyl]carbonyl}-2,2,8-trimethyl-3-thioxo(4-1,2-di hydroquinolylidene))-5-(methoxycarbonyl)-1,3-dithiolene-4-carboxylate1,3-Dithiole-4,5-dicarboxylic acid, 2-[1-[4-(1,1-dimethylethyl)benzoyl]-2,3-dihydro-2,2,8-trimethyl-3-thioxo-4(1H)-quinolinylidene]-, 4,5-dimethyl ester
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 7.1
- 극성 표면적
- 156 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 1,080
물리화학적 성질
- 끓는 점
- 657.5 · 657.5±65.0 °C(Predicted)
- 밀도
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -1.92 · -1.92±0.40(Predicted)
화학 및 산업
공급사2 곳
PHARMEKS Ltd.[email protected]
SPECS[email protected]
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