dimethyl 2-(2,2-dimethyl-7-(methyloxy)-1-pentanoyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate
기본 정보
- CAS
316358-68-6- 표준 SMILES
CCCCC(=O)N1c2cc(OC)ccc2C(=C2SC(C(=O)OC)=C(C(=O)OC)S2)C(=S)C1(C)C- InChIKey
CYVNABHUCGOUNK-UHFFFAOYSA-N- 분자식
- C24H27NO6S3
- 평균 분자량
- 521.7 g/mol
이름 및 식별자
- 우선 이름
- dimethyl 2-(2,2-dimethyl-7-(methyloxy)-1-pentanoyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate
- IUPAC
- dimethyl 2-(7-methoxy-2,2-dimethyl-1-pentanoyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate
- 영어명
- dimethyl 2-(7-methoxy-2,2-dimethyl-1-pentanoyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate
- 분자식
- C24H27NO6S3
- 분자량
- 521.67
이름 및 동의어
316358-68-6dimethyl 2-(2,2-dimethyl-7-(methyloxy)-1-pentanoyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylatedimethyl 2-(7-methoxy-2,2-dimethyl-1-pentanoyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylateSTK092243AKOS000617779dimethyl 2-(7-methoxy-2,2-dimethyl-1-pentanoyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylateAK-968/121164494,5-DIMETHYL 2-(7-METHOXY-2,2-DIMETHYL-1-PENTANOYL-3-SULFANYLIDENE-1,2,3,4-TETRAHYDROQUINOLIN-4-YLIDENE)-2H-1,3-DITHIOLE-4,5-DICARBOXYLATEdimethyl 2-(7-methoxy-2,2-dimethyl-1-pentanoyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate1,3-Dithiole-4,5-dicarboxylic acid, 2-[2,3-dihydro-7-methoxy-2,2-dimethyl-1-(1-oxopentyl)-3-thioxo-4(1H)-quinolinylidene]-, 4,5-dimethyl ester
데이터베이스 식별자
- CAS
316358-68-6
물성
구조 계산 물성
- XLogP
- 4.7
- 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
- 656.4 · 656.4±65.0 °C(Predicted)
- 밀도
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -2.29 · -2.29±0.40(Predicted)
관련 반응
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