기본 정보
- CAS
327168-23-0- 표준 SMILES
CCCC(=O)N1c2ccc(OCC)cc2C(=C2SC(C(=O)OC)=C(C(=O)OC)S2)C(=S)C1(C)C- InChIKey
XPGPHFVGYGLCFE-UHFFFAOYSA-N- 분자식
- C24H27NO6S3
- 평균 분자량
- 521.7 g/mol
- 단동위원소 질량
- 521.1000511
이름 및 식별자
- 우선 이름
- Dimethyl 2-(1-butanoyl-6-ethoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate
- IUPAC
- dimethyl 2-(1-butanoyl-6-ethoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate
- 영어명
- dimethyl 2-(1-butyryl-6-ethoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate
- 분자식
- C24H27NO6S3
- 분자량
- 521.67
이름 및 동의어
327168-23-0dimethyl 2-(1-butanoyl-6-ethoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylatedimethyl 2-(1-butyryl-6-ethoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylateSTK089002AKOS000616238PD148624EU-0011555ST50228787AG-690/10503022dimethyl 2-(1-butanoyl-6-ethoxy-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-2H-1,3-dithiole-4,5-dicarboxylatedimethyl 2-(1-butanoyl-6-ethoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylatemethyl 2-(1-butanoyl-6-ethoxy-2,2-dimethyl-3-thioxo(4-1,2-dihydroquinolylidene ))-5-(methoxycarbonyl)-1,3-dithiolene-4-carboxylate
이름 더 보기
1,3-Dithiole-4,5-dicarboxylic acid, 2-[6-ethoxy-2,3-dihydro-2,2-dimethyl-1-(1-oxobutyl)-3-thioxo-4(1H)-quinolinylidene]-, 4,5-dimethyl ester
물성
구조 계산 물성
- XLogP
- 4.6
- 극성 표면적
- 165 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 911
물리화학적 성질
- 끓는 점
- 663.8 · 663.8±65.0 °C(Predicted)
- 밀도
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -1.09 · -1.09±0.40(Predicted)
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