Diethyl 2-(1-benzoyl-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate
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기본 정보
- CAS
364337-49-5- 표준 SMILES
CCOC(=O)C1=C(C(=O)OCC)SC(=C2C(=S)C(C)(C)N(C(=O)c3ccccc3)c3ccccc32)S1- InChIKey
YIECIYJDGRJNSD-UHFFFAOYSA-N- 분자식
- C27H25NO5S3
- 평균 분자량
- 539.7 g/mol
- 단동위원소 질량
- 539.08948642
이름 및 식별자
- 우선 이름
- Diethyl 2-(1-benzoyl-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate
- IUPAC
- diethyl 2-(1-benzoyl-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate
- 영어명
- diethyl 2-(1-benzoyl-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate
- 분자식
- C27H25NO5S3
- 분자량
- 539.69
이름 및 동의어
364337-49-5diethyl 2-(1-benzoyl-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylateZINC8431805ZINC08431805MFCD01796170STK012612AKOS002229882ZINC000008431805ST50103667AJ-292/13095218CCOC(=O)C1=C(SC(=C2C3=CC=CC=C3N(C(C2=S)(C)C)C(=O)C4=CC=CC=C4)S1)C(=O)OCCCCOC(=O)C1=C(SC(=C2c3ccccc3N(C(C2=S)(C)C)C(=O)c2ccccc2)S1)C(=O)OCC
이름 더 보기
1,3-Dithiole-4,5-dicarboxylic acid, 2-(1-benzoyl-2,3-dihydro-2,2-dimethyl-3-thioxo-4(1H)-quinolinylidene)-, 4,5-diethyl ester
DIETHYL2(1BENZOYL22DIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATEdiethyl2(1benzoyl22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylatediethyl 2-(1-benzoyl-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-2H-1,3-dithiole-4,5-dicarboxylatediethyl 2-(1-benzoyl-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylatediethyl 2-(1-benzoyl-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylateDIETHYL2(1BENZOYL22DIMETHYL3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLATEDIETHYL2(22DIMETHYL1(PHENYLCARBONYL)3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATEethyl 2-[2,2-dimethyl-1-(phenylcarbonyl)-3-thioxo(4-1,2-dihydroquinolylidene)] -5-(ethoxycarbonyl)-1,3-dithiolene-4-carboxylate
물성
구조 계산 물성보충 중
- XLogP
- 5.8
- 극성 표면적
- 156 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 963
물리화학적 성질
- 끓는 점
- 635.9 · 635.9±65.0 °C(Predicted)
- 밀도
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -2 · -2.00±0.40(Predicted)
관련 반응
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