기본 정보
- CAS
300718-71-2- 표준 SMILES
CCOc1ccc2c(c1)C(=C1SC(C(=O)OC)=C(C(=O)OC)S1)C(=S)C(C)(C)N2C(=O)c1ccccc1- InChIKey
JHBTVPBYGAHGBO-UHFFFAOYSA-N- 분자식
- C27H25NO6S3
- 평균 분자량
- 555.7 g/mol
- 단동위원소 질량
- 555.08440104
이름 및 식별자
- 우선 이름
- dimethyl 2-(1-benzoyl-6-ethoxy-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate
- IUPAC
- dimethyl 2-(1-benzoyl-6-ethoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate
- 영어명
- dimethyl 2-(1-benzoyl-6-ethoxy-2,2-dimethyl-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-benzoyl-6-ethoxy-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylatedimethyl 2-(1-benzoyl-6-ethoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylateSTK055409AKOS000616929NCGC01447767-01dimethyl 2-(1-benzoyl-6-ethoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylateUPCMLD0ENAT0400-3764:001ST50219417AG-690/40097487SR-01000493154SR-01000493154-1Z56757004
이름 더 보기
1,3-Dithiole-4,5-dicarboxylic acid, 2-(1-benzoyl-6-ethoxy-2,3-dihydro-2,2-dimethyl-3-thioxo-4(1H)-quinolinylidene)-, 4,5-dimethyl ester
dimethyl 2-(1-benzoyl-6-ethoxy-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-2H-1,3-dithiole-4,5-dicarboxylatedimethyl 2-[6-ethoxy-2,2-dimethyl-1-(phenylcarbonyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylatemethyl 2-[6-ethoxy-2,2-dimethyl-1-(phenylcarbonyl)-3-thioxo(4-1,2-dihydroquino lylidene)]-5-(methoxycarbonyl)-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
- 7
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 999
물리화학적 성질
- 끓는 점
- 667.7 · 667.7±65.0 °C(Predicted)
- 밀도
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -1.22 · -1.22±0.40(Predicted)
화학 및 산업
공급사3 곳
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