기본 정보
- CAS
331640-25-6- 표준 SMILES
CCOC(=O)C1=C(C(=O)OCC)SC(=C2C(=S)C(C)(C)N(C(=O)CC(C)C)c3ccc(C)cc32)S1- InChIKey
UTCWFIQJCCSRGO-UHFFFAOYSA-N- 분자식
- C26H31NO5S3
- 평균 분자량
- 533.7 g/mol
- 단동위원소 질량
- 533.13643661
이름 및 식별자
- 우선 이름
- Diethyl 2-[2,2,6-trimethyl-1-(3-methylbutanoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
- IUPAC
- diethyl 2-[2,2,6-trimethyl-1-(3-methylbutanoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
- 영어명
- diethyl 2-(2,2,6-trimethyl-1-(3-methylbutanoyl)-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate
- 분자식
- C26H31NO5S3
- 분자량
- 533.72
이름 및 동의어
331640-25-6diethyl 2-[2,2,6-trimethyl-1-(3-methylbutanoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylatediethyl 2-(2,2,6-trimethyl-1-(3-methylbutanoyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylatediethyl 2-[2,2,6-trimethyl-1-(3-methylbutanoyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylateSTK789393AKOS000617906AG-690/12002167diethyl 2-(2,2,6-trimethyl-1-(3-methylbutanoyl)-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate1,3-Dithiole-4,5-dicarboxylic acid, 2-[2,3-dihydro-2,2,6-trimethyl-1-(3-methyl-1-oxobutyl)-3-thioxo-4(1H)-quinolinylidene]-, 4,5-diethyl ester
데이터베이스 식별자
- CAS
331640-25-6- PubChem CID
- 3117928
물성
구조 계산 물성
- XLogP
- 5.8
- 극성 표면적
- 156 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 936
화학 및 산업
공급사3 곳
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