기본 정보
- CAS
296272-66-7- 표준 SMILES
CCOC(=O)C1=C(C(=O)OCC)SC(=C2C(=S)C(C)(C)N(C)c3ccc(C)cc32)S1- InChIKey
PSJMVPPPADLXFV-UHFFFAOYSA-N- 분자식
- C22H25NO4S3
- 평균 분자량
- 463.6 g/mol
- 단동위원소 질량
- 463.0945718
이름 및 식별자
- 우선 이름
- diethyl 2-(1,2,2,6-tetramethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate
- IUPAC
- diethyl 2-(1,2,2,6-tetramethyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate
- 영어명
- diethyl 2-(1,2,2,6-tetramethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate
- 분자식
- C22H25NO4S3
- 분자량
- 463.63
이름 및 동의어
296272-66-7ZINC3878847diethyl 2-(1,2,2,6-tetramethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylateethyl 5-(ethoxycarbonyl)-2-(1,2,2,6-tetramethyl-3-thioxo(4-1,2-dihydroquinolyl idene))-1,3-dithiolene-4-carboxylateZINC03878847diethyl 2-(1,2,2,6-tetramethyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylateMFCD00568066STK052069AKOS0006168452-(1,2,2,6-Tetramethyl-3-thioxo-2,3-dihydro-1H-quinolin-4-ylidene)-[1,3]dithioleST000481ZINC000003878847
이름 더 보기
diethyl 2-(1,2,2,6-tetramethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate1,3-Dithiole-4,5-dicarboxylic acid, 2-(2,3-dihydro-1,2,2,6-tetramethyl-3-thioxo-4(1H)-quinolinylidene)-, 4,5-diethyl ester
EU-0044904AG-690/34160018SR-01000493151SR-01000493151-1CCOC(=O)C1=C(SC(=C2c3cc(C)ccc3N(C(C2=S)(C)C)C)S1)C(=O)OCCCCOC(=O)C1=C(SC(=C2C3=C(C=CC(=C3)C)N(C(C2=S)(C)C)C)S1)C(=O)OCCdiethyl2(1226tetramethyl3sulfanylidenequinolin4ylidene)13dithiole45dicarboxylatediethyl2(1226tetramethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
물성
구조 계산 물성
- XLogP
- 5.3
- 극성 표면적
- 139 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 785
물리화학적 성질
- 끓는 점
- 554.5 · 554.5±60.0 °C(Predicted)
- 밀도
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 1.93 · 1.93±0.40(Predicted)
화학 및 산업
공급사3 곳
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