기본 정보
- CAS
332044-19-6- 표준 SMILES
COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)c3cccc4ccccc34)c3cc(C)c(C)cc32)S1- InChIKey
RFHQWDSMZDOIEZ-UHFFFAOYSA-N- 분자식
- C31H27NO5S3
- 평균 분자량
- 589.8 g/mol
이름 및 식별자
- 우선 이름
- Dimethyl 2-[2,2,6,7-tetramethyl-1-(naphthalene-1-carbonyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
- IUPAC
- dimethyl 2-[2,2,6,7-tetramethyl-1-(naphthalene-1-carbonyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
- 영어명
- dimethyl 2-(2,2,6,7-tetramethyl-1-(1-naphthoyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate
- 분자식
- C31H27NO5S3
- 분자량
- 589.74
이름 및 동의어
dimethyl 2-[2,2,6,7-tetramethyl-1-(naphthalen-1-ylcarbonyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylateSTK080574AKOS000620077dimethyl 2-[2,2,6,7-tetramethyl-1-(naphthalene-1-carbonyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylateST50103401AG-690/12249339dimethyl 2-(1-(1-naphthoyl)-2,2,6,7-tetramethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylatedimethyl 2-(2,2,6,7-tetramethyl-1-(1-naphthoyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylateDIMETHYL 2-[2,2,6,7-TETRAMETHYL-1-(1-NAPHTHYLCARBONYL)-3-THIOXO-2,3-DIHYDRO-4(1H)-QUINOLINYLIDEN]-1,3-DITHIOLE-4,5-DICARBOXYLATEmethyl 5-(methoxycarbonyl)-2-[2,2,6,7-tetramethyl-1-(naphthylcarbonyl)-3-thiox o(4-1,2-dihydroquinolylidene)]-1,3-dithiolene-4-carboxylate1,3-Dithiole-4,5-dicarboxylic acid, 2-[2,3-dihydro-2,2,6,7-tetramethyl-1-(1-naphthalenylcarbonyl)-3-thioxo-4(1H)-quinolinylidene]-, 4,5-dimethyl ester
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 7
- 극성 표면적
- 156 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 1,130
물리화학적 성질
- 끓는 점
- 721.5 · 721.5±70.0 °C(Predicted)
- 밀도
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 2.26 · 2.26±0.40(Predicted)
화학 및 산업
공급사3 곳
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