기본 정보
- CAS
309265-59-6- 표준 SMILES
CCOC(=O)C1=C(C(=O)OCC)SC(=C2C(=S)C(C)(C)N(C(=O)C(C)C)c3ccc(OC)cc32)S1- InChIKey
MRRCGZWWMMFOQB-UHFFFAOYSA-N- 분자식
- C25H29NO6S3
- 평균 분자량
- 535.7 g/mol
- 단동위원소 질량
- 535.11570117
이름 및 식별자
- 우선 이름
- Diethyl 2-[6-methoxy-2,2-dimethyl-1-(2-methylpropanoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
- IUPAC
- diethyl 2-[6-methoxy-2,2-dimethyl-1-(2-methylpropanoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
- 영어명
- diethyl 2-(1-isobutyryl-6-methoxy-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate
- 분자식
- C25H29NO6S3
- 분자량
- 535.7
이름 및 동의어
309265-59-6diethyl 2-(1-isobutyryl-6-methoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylateChemDiv1_027572diethyl 2-[6-methoxy-2,2-dimethyl-1-(2-methylpropanoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylateHMS665F06STK789394AKOS001757020AG-690/12000022SR-01000525155SR-01000525155-1diethyl 2-(1-isobutyryl-6-methoxy-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylatediethyl 2-[6-methoxy-2,2-dimethyl-1-(2-methylpropanoyl)-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
이름 더 보기
1,3-Dithiole-4,5-dicarboxylic acid, 2-[2,3-dihydro-6-methoxy-2,2-dimethyl-1-(2-methyl-1-oxopropyl)-3-thioxo-4(1H)-quinolinylidene]-, 4,5-diethyl ester
diethyl 2-[6-methoxy-2,2-dimethyl-1-(2-methylpropanoyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate
물성
구조 계산 물성
- XLogP
- 5.1
- 극성 표면적
- 165 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 938
물리화학적 성질
- 끓는 점
- 666.9 · 666.9±65.0 °C(Predicted)
- 밀도
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -1.17 · -1.17±0.40(Predicted)
화학 및 산업
공급사2 곳
Interbioscreen Ltd.[email protected]
SPECS[email protected]
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