기본 정보
- CAS
499208-99-0- 표준 SMILES
CC1(C)CC(=O)c2cc(C#N)c(SCSc3nc4c(cc3C#N)C(=O)CC(C)(C)C4)nc2C1- InChIKey
FQXCMAJLNJRJOU-UHFFFAOYSA-N- 분자식
- C25H24N4O2S2
- 평균 분자량
- 476.6 g/mol
이름 및 식별자
- 우선 이름
- 2-({[(3-Cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]methyl}sulfanyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile
- IUPAC
- 2-[(3-cyano-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanylmethylsulfanyl]-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile
- 영어명
- 2,2-(methylenebis(sulfanediyl))bis(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile)
- 분자식
- C25H24N4O2S2
- 분자량
- 476.61
이름 및 동의어
499208-99-02,2'-(methylenebis(sulfanediyl))bis(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile)2-({[(3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]methyl}sulfanyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile2-[(3-cyano-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanylmethylsulfanyl]-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrileChemDiv3_003416Oprea1_040714HMS1482L06STK841102AKOS002052347IDI1_021326EU-0045408AE-848/41151100
이름 더 보기
2,2-(methylenebis(sulfanediyl))bis(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile)3-Quinolinecarbonitrile, 2,2'-[methylenebis(thio)]bis[5,6,7,8-tetrahydro-7,7-dimethyl-5-oxo- (9CI)
BRD-K98857743-001-01-1F1109-01752,2'-(methanediyldisulfanediyl)bis(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile)
물성
구조 계산 물성
- XLogP
- 4.6
- 극성 표면적
- 158 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 829
화학 및 산업
공급사4 곳
PHARMEKS Ltd.[email protected]
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SPECS[email protected]
IFLAB-BB[email protected]
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