기본 정보
- CAS
332019-89-3- 표준 SMILES
COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)c3ccc(Cl)cc3Cl)c3cc(C)ccc32)S1- InChIKey
BKEQRWNPXKGDAP-UHFFFAOYSA-N- 분자식
- C26H21Cl2NO5S3
- 평균 분자량
- 594.6 g/mol
- 단동위원소 질량
- 592.9958917
이름 및 식별자
- 우선 이름
- Dimethyl 2-[1-(2,4-dichlorobenzoyl)-2,2,7-trimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
- IUPAC
- dimethyl 2-[1-(2,4-dichlorobenzoyl)-2,2,7-trimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
- 영어명
- dimethyl 2-(1-(2,4-dichlorobenzoyl)-2,2,7-trimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate
- 분자식
- C26H21Cl2NO5S3
- 분자량
- 594.55
이름 및 동의어
dimethyl 2-(1-(2,4-dichlorobenzoyl)-2,2,7-trimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylateCDS1_002950ChemDiv1_022726DivK1c_003990HMS651I22STK016931AKOS000620281dimethyl 2-[1-(2,4-dichlorobenzoyl)-2,2,7-trimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylateST50103338AG-690/12887287SR-01000449980SR-01000449980-1
이름 더 보기
1,3-Dithiole-4,5-dicarboxylic acid, 2-[1-(2,4-dichlorobenzoyl)-2,3-dihydro-2,2,7-trimethyl-3-thioxo-4(1H)-quinolinylidene]-, 4,5-dimethyl ester
dimethyl 2-(1-(2,4-dichlorobenzoyl)-2,2,7-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylatedimethyl 2-[1-(2,4-dichlorobenzoyl)-2,2,7-trimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylatedimethyl 2-{1-[(2,4-dichlorophenyl)carbonyl]-2,2,7-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylatemethyl 2-{1-[(2,4-dichlorophenyl)carbonyl]-2,2,7-trimethyl-3-thioxo(4-1,2-dihy droquinolylidene)}-5-(methoxycarbonyl)-1,3-dithiolene-4-carboxylate
물성
구조 계산 물성
- XLogP
- 6.7
- 극성 표면적
- 156 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 1,040
물리화학적 성질
- 끓는 점
- 689.5 · 689.5±65.0 °C(Predicted)
- 밀도
- 1.52 · 1.52±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -2.62 · -2.62±0.40(Predicted)
화학 및 산업
공급사2 곳
PHARMEKS Ltd.[email protected]
SPECS[email protected]
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