1H-Imidazole-2-acetonitrile, 5-((3,5-dichlorophenyl)thio)-1-methyl-4-(1-methylethyl)-
基本情報
- CAS
178981-76-5- 標準SMILES
CC(C)c1nc(CC#N)n(C)c1Sc1cc(Cl)cc(Cl)c1- InChIKey
GIHYVOYTEMGARV-UHFFFAOYSA-N- 分子式
- C15H15Cl2N3S
- 平均分子量
- 340.3 g/mol
- 単同位体質量
- 339.0363741
名称と識別子
- 優先名称
- 1H-Imidazole-2-acetonitrile, 5-((3,5-dichlorophenyl)thio)-1-methyl-4-(1-methylethyl)-
- IUPAC
- 2-[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]acetonitrile
名称と別名
178981-76-51H-Imidazole-2-acetonitrile, 5-((3,5-dichlorophenyl)thio)-1-methyl-4-(1-methylethyl)-2-(5-((3,5-Dichlorophenyl)thio)-4-isopropyl-1-methyl-1H-imidazol-2-yl)acetonitrile1H-Imidazole-2-acetonitrile, 5-[(3,5-dichlorophenyl)thio]-1-methyl-4-(1-methylethyl)-SCHEMBL6969632DTXSID60170758GIHYVOYTEMGARV-UHFFFAOYSA-N[5-(3,5-dichlorophenylthio)-4-isopropyl-1-methyl-1H-imidazol-2-yl]acetonitrile{5-[(3,5-Dichlorophenyl)sulfanyl]-1-methyl-4-(propan-2-yl)-1H-imidazol-2-yl}acetonitrile2-[5-(3,5-dichlorophenyl)sulfanyl-4-isopropyl-1-methyl-imidazol-2-yl]acetonitrile5-(3,5-Dichlorophenylthio)-4-isopropyl-1-methyl-1H-imidazol-2-ylacetonitrile
データベース識別子
- CAS
178981-76-5- PubChem CID
- 474009
- DTXSID
DTXSID60170758
物性
構造計算による物性
- XLogP
- 4.5
- 極性表面積
- 66.9 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 3
- 回転可能結合数
- 4
- 重原子数
- 21
- 形式電荷
- 0
- 複雑度
- 388
関連反応
3 件
化合物ノート
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