기본 정보
- CAS
327169-51-7- 표준 SMILES
COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)c3ccccc3Br)c3cc(C)ccc32)S1- InChIKey
HUDJTQFGLYGGLM-UHFFFAOYSA-N- 분자식
- C26H22BrNO5S3
- 평균 분자량
- 604.6 g/mol
- 단동위원소 질량
- 602.98435
이름 및 식별자
- 우선 이름
- Dimethyl 2-[1-(2-bromobenzoyl)-2,2,7-trimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
- IUPAC
- dimethyl 2-[1-(2-bromobenzoyl)-2,2,7-trimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
- 영어명
- dimethyl 2-(1-(2-bromobenzoyl)-2,2,7-trimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate
- 분자식
- C26H22BrNO5S3
- 분자량
- 604.55558
이름 및 동의어
dimethyl 2-(1-(2-bromobenzoyl)-2,2,7-trimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylatedimethyl 2-[1-(2-bromobenzoyl)-2,2,7-trimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene]-1,3-dithiole-4,5-dicarboxylateSTK789013AKOS000616498dimethyl 2-[1-(2-bromobenzoyl)-2,2,7-trimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylateST50220483AG-690/40135777dimethyl 2-(1-(2-bromobenzoyl)-2,2,7-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylatedimethyl 2-[1-(2-bromobenzoyl)-2,2,7-trimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylatedimethyl 2-{1-[(2-bromophenyl)carbonyl]-2,2,7-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylatemethyl 2-{1-[(2-bromophenyl)carbonyl]-2,2,7-trimethyl-3-thioxo(4-1,2-dihydroqu inolylidene)}-5-(methoxycarbonyl)-1,3-dithiolene-4-carboxylate
데이터베이스 식별자
- CAS
물성
구조 계산 물성
- XLogP
- 6.1
- 극성 표면적
- 156 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 1,010
화학 및 산업
공급사1 곳
SPECS[email protected]
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