기본 정보
- CAS
311317-90-5- 표준 SMILES
COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)c3ccc(C)cc3)c3cc(OC)ccc32)S1- InChIKey
KOWPQFTUGWWTOL-UHFFFAOYSA-N- 분자식
- C27H25NO6S3
- 평균 분자량
- 555.7 g/mol
이름 및 식별자
- 우선 이름
- Dimethyl 2-[7-methoxy-2,2-dimethyl-1-(4-methylbenzoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
- IUPAC
- dimethyl 2-[7-methoxy-2,2-dimethyl-1-(4-methylbenzoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
- 영어명
- dimethyl 2-(7-methoxy-2,2-dimethyl-1-(4-methylbenzoyl)-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate
- 분자식
- C27H25NO6S3
- 분자량
- 555.69
이름 및 동의어
dimethyl 2-(7-methoxy-2,2-dimethyl-1-(4-methylbenzoyl)-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylatedimethyl 2-(7-methoxy-2,2-dimethyl-1-(4-methylbenzoyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylatedimethyl 2-[7-methoxy-2,2-dimethyl-1-(4-methylbenzoyl)-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene]-1,3-dithiole-4,5-dicarboxylatedimethyl 2-[7-methoxy-2,2-dimethyl-1-(4-methylbenzoyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylateChemDiv1_025339HMS658P17STK695766AKOS000673107dimethyl 2-[7-methoxy-2,2-dimethyl-1-(4-methylbenzoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylateEU-0084580AG-690/36425020SR-01000514558
이름 더 보기
1,3-Dithiole-4,5-dicarboxylic acid, 2-[2,3-dihydro-7-methoxy-2,2-dimethyl-1-(4-methylbenzoyl)-3-thioxo-4(1H)-quinolinylidene]-, 4,5-dimethyl ester
SR-01000514558-14,5-DIMETHYL 2-[7-METHOXY-2,2-DIMETHYL-1-(4-METHYLBENZOYL)-3-SULFANYLIDENE-1,2,3,4-TETRAHYDROQUINOLIN-4-YLIDENE]-2H-1,3-DITHIOLE-4,5-DICARBOXYLATEdimethyl 2-{7-methoxy-2,2-dimethyl-1-[(4-methylphenyl)carbonyl]-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
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
- 6
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 1,010
물리화학적 성질
- 끓는 점
- 669.8 · 669.8±65.0 °C(Predicted)
- 밀도
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -1.93 · -1.93±0.40(Predicted)
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