기본 정보
- CAS
331973-32-1- 표준 SMILES
COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)c3cccc(Br)c3)c3ccccc32)S1- InChIKey
ICHZTEUZCQJPBO-UHFFFAOYSA-N- 분자식
- C25H20BrNO5S3
- 평균 분자량
- 590.5 g/mol
이름 및 식별자
- 우선 이름
- Dimethyl 2-[1-(3-bromobenzoyl)-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
- IUPAC
- dimethyl 2-[1-(3-bromobenzoyl)-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
- 영어명
- dimethyl 2-(1-(3-bromobenzoyl)-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate
- 분자식
- C25H20BrNO5S3
- 분자량
- 590.53
이름 및 동의어
dimethyl 2-(1-(3-bromobenzoyl)-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylateCDS1_003024ChemDiv1_022800DivK1c_004064HMS651M08STK009469AKOS000618108dimethyl 2-[1-(3-bromobenzoyl)-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylateST50103172AG-690/11835050SR-01000449888SR-01000449888-1
이름 더 보기
1,3-Dithiole-4,5-dicarboxylic acid, 2-[1-(3-bromobenzoyl)-2,3-dihydro-2,2-dimethyl-3-thioxo-4(1H)-quinolinylidene]-, 4,5-dimethyl ester
4,5-DIMETHYL 2-[1-(3-BROMOBENZOYL)-2,2-DIMETHYL-3-SULFANYLIDENE-1,2,3,4-TETRAHYDROQUINOLIN-4-YLIDENE]-2H-1,3-DITHIOLE-4,5-DICARBOXYLATEdimethyl 2-(1-(3-bromobenzoyl)-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylatedimethyl 2-{1-[(3-bromophenyl)carbonyl]-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylatemethyl 2-{1-[(3-bromophenyl)carbonyl]-2,2-dimethyl-3-thioxo(4-1,2-dihydroquino lylidene)}-5-(methoxycarbonyl)-1,3-dithiolene-4-carboxylate
물성
구조 계산 물성
- XLogP
- 5.8
- 극성 표면적
- 156 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 977
화학 및 산업
공급사2 곳
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