기본 정보
- CAS
377760-31-1- 표준 SMILES
COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)c3cccc(OC)c3)c3ccc(Cl)cc32)S1- InChIKey
UTHMBJJHTSWDPQ-UHFFFAOYSA-N- 분자식
- C26H22ClNO6S3
- 평균 분자량
- 576.1 g/mol
- 단동위원소 질량
- 575.0297786
이름 및 식별자
- 우선 이름
- Dimethyl 2-[6-chloro-1-(3-methoxybenzoyl)-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
- IUPAC
- dimethyl 2-[6-chloro-1-(3-methoxybenzoyl)-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
- 영어명
- dimethyl 2-(6-chloro-1-(3-methoxybenzoyl)-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate
- 분자식
- C26H22ClNO6S3
- 분자량
- 576.1
이름 및 동의어
dimethyl 2-[6-chloro-1-(3-methoxybenzoyl)-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylatedimethyl 2-(6-chloro-1-(3-methoxybenzoyl)-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylateSTK138296AKOS001036386dimethyl 2-[6-chloro-1-(3-methoxybenzoyl)-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylateAF-399/40741301SR-01000470548SR-01000470548-1Z56803535dimethyl 2-(6-chloro-1-(3-methoxybenzoyl)-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylatedimethyl 2-[6-chloro-1-(3-methoxybenzoyl)-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylatedimethyl 2-{6-chloro-1-[(3-methoxyphenyl)carbonyl]-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
이름 더 보기
1,3-Dithiole-4,5-dicarboxylic acid, 2-[6-chloro-2,3-dihydro-1-(3-methoxybenzoyl)-2,2-dimethyl-3-thioxo-4(1H)-quinolinylidene]-, 4,5-dimethyl ester
물성
구조 계산 물성
- XLogP
- 5.7
- 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
- 1,030
물리화학적 성질
- 끓는 점
- 684 · 684.0±65.0 °C(Predicted)
- 밀도
- 1.49 · 1.49±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -2.73 · -2.73±0.40(Predicted)
화학 및 산업
공급사3 곳
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