기본 정보
- CAS
351192-73-9- 표준 SMILES
COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)c3cccc(OC)c3)c3c(C)cccc32)S1- InChIKey
QQPLZLUTYSDBAF-UHFFFAOYSA-N- 분자식
- C27H25NO6S3
- 평균 분자량
- 555.7 g/mol
- 단동위원소 질량
- 555.08440104
이름 및 식별자
- 우선 이름
- Dimethyl 2-[1-(3-methoxybenzoyl)-2,2,8-trimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
- IUPAC
- dimethyl 2-[1-(3-methoxybenzoyl)-2,2,8-trimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
- 영어명
- dimethyl 2-(1-(3-methoxybenzoyl)-2,2,8-trimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate
- 분자식
- C27H25NO6S3
- 분자량
- 555.69
이름 및 동의어
dimethyl 2-{1-[(3-methoxyphenyl)carbonyl]-2,2,8-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylatedimethyl 2-(1-(3-methoxybenzoyl)-2,2,8-trimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylatedimethyl 2-[1-(3-methoxybenzoyl)-2,2,8-trimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene]-1,3-dithiole-4,5-dicarboxylateCDS1_002916ChemDiv1_022692DivK1c_003956HMS651H10STK789635AKOS000619997dimethyl 2-[1-(3-methoxybenzoyl)-2,2,8-trimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylateST50264061AG-690/12892662
이름 더 보기
1,3-Dithiole-4,5-dicarboxylic acid, 2-[2,3-dihydro-1-(3-methoxybenzoyl)-2,2,8-trimethyl-3-thioxo-4(1H)-quinolinylidene]-, 4,5-dimethyl ester
AJ-292/12785033SR-01000450294SR-01000450294-1dimethyl 2-(1-(3-methoxybenzoyl)-2,2,8-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylatedimethyl 2-[1-(3-methoxybenzoyl)-2,2,8-trimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylatemethyl 5-(methoxycarbonyl)-2-{1-[(3-methoxyphenyl)carbonyl]-2,2,8-trimethyl-3- thioxo(4-1,2-dihydroquinolylidene)}-1,3-dithiolene-4-carboxylate
물성
구조 계산 물성
- XLogP
- 5.4
- 극성 표면적
- 165 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 1,020
물리화학적 성질
- 끓는 점
- 657.7 · 657.7±65.0 °C(Predicted)
- 밀도
- 1.42 · 1.42±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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