기본 정보
- CAS
306272-79-7- 표준 SMILES
COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)C(C)C)c3cc(C)c(C)cc32)S1- InChIKey
UCSVKRBSUJCYBZ-UHFFFAOYSA-N- 분자식
- C24H27NO5S3
- 평균 분자량
- 505.7 g/mol
- 단동위원소 질량
- 505.10513648
이름 및 식별자
- 우선 이름
- Dimethyl 2-[2,2,6,7-tetramethyl-1-(2-methylpropanoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
- IUPAC
- dimethyl 2-[2,2,6,7-tetramethyl-1-(2-methylpropanoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
- 영어명
- dimethyl 2-(1-isobutyryl-2,2,6,7-tetramethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate
- 분자식
- C24H27NO5S3
- 분자량
- 505.67
이름 및 동의어
306272-79-7dimethyl 2-[2,2,6,7-tetramethyl-1-(2-methylpropanoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylateCDS1_002901ChemDiv1_022677DivK1c_003941HMS651G17STK033967AKOS000618090EU-0006684ST50102992AG-690/11453571SR-01000449803
이름 더 보기
1,3-Dithiole-4,5-dicarboxylic acid, 2-[2,3-dihydro-2,2,6,7-tetramethyl-1-(2-methyl-1-oxopropyl)-3-thioxo-4(1H)-quinolinylidene]-, 4,5-dimethyl ester
SR-01000449803-1dimethyl 2-(1-isobutyryl-2,2,6,7-tetramethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylatedimethyl 2-(1-isobutyryl-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-(2-methylpropanoyl)-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylatedimethyl 2-[2,2,6,7-tetramethyl-1-(2-methylpropanoyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylatemethyl 5-(methoxycarbonyl)-2-[2,2,6,7-tetramethyl-1-(2-methylpropanoyl)-3-thio xo(4-1,2-dihydroquinolylidene)]-1,3-dithiolene-4-carboxylate
데이터베이스 식별자
- CAS
306272-79-7- PubChem CID
- 3112146
물성
구조 계산 물성
- XLogP
- 5.2
- 극성 표면적
- 156 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 922
물리화학적 성질
- 끓는 점
- 648.9 · 648.9±65.0 °C(Predicted)
- 밀도
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -1.23 · -1.23±0.40(Predicted)
화학 및 산업
공급사4 곳
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