Dimethyl 2-[1-(2,4-dichlorobenzoyl)-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
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기본 정보
- CAS
351192-78-4- 표준 SMILES
COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)c3ccc(Cl)cc3Cl)c3ccccc32)S1- InChIKey
LEXUSDOBIWPOIA-UHFFFAOYSA-N- 분자식
- C25H19Cl2NO5S3
- 평균 분자량
- 580.5 g/mol
- 단동위원소 질량
- 578.9802416
이름 및 식별자
- 우선 이름
- Dimethyl 2-[1-(2,4-dichlorobenzoyl)-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
- IUPAC
- dimethyl 2-[1-(2,4-dichlorobenzoyl)-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
- 영어명
- dimethyl 2-(1-(2,4-dichlorobenzoyl)-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate
- 분자식
- C25H19Cl2NO5S3
- 분자량
- 580.52
이름 및 동의어
dimethyl 2-{1-[(2,4-dichlorophenyl)carbonyl]-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylatedimethyl 2-(1-(2,4-dichlorobenzoyl)-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylatedimethyl 2-[1-(2,4-dichlorobenzoyl)-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene]-1,3-dithiole-4,5-dicarboxylateCDS1_003048ChemDiv1_022824DivK1c_004088HMS651N10STK066830AKOS000619921dimethyl 2-[1-(2,4-dichlorobenzoyl)-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylateST50107062AG-690/12892666
이름 더 보기
1,3-Dithiole-4,5-dicarboxylic acid, 2-[1-(2,4-dichlorobenzoyl)-2,3-dihydro-2,2-dimethyl-3-thioxo-4(1H)-quinolinylidene]-, 4,5-dimethyl ester
AJ-292/12785034SR-01000450297SR-01000450297-1dimethyl 2-(1-(2,4-dichlorobenzoyl)-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylatedimethyl 2-[1-(2,4-dichlorobenzoyl)-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylatemethyl 2-{1-[(2,4-dichlorophenyl)carbonyl]-2,2-dimethyl-3-thioxo(4-1,2-dihydro quinolylidene)}-5-(methoxycarbonyl)-1,3-dithiolene-4-carboxylate
물성
구조 계산 물성보충 중
- XLogP
- 6.3
- 극성 표면적
- 156 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 1,010
물리화학적 성질
- 끓는 점
- 671.3 · 671.3±65.0 °C(Predicted)
- 밀도
- 1.55 · 1.55±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -2.74 · -2.74±0.40(Predicted)
관련 반응
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