基本情報
- CAS
55250-78-7- 標準SMILES
CC1(C)C(=O)N(CCOC(=O)CCS)C(=O)N1CCOC(=O)CCS- InChIKey
LJOCSZWVBPUWHF-UHFFFAOYSA-N- 分子式
- C15H24N2O6S2
- 平均分子量
- 392.5 g/mol
- 単同位体質量
- 392.10757884
名称と識別子
- 優先名称
- Propanoic acid, 3-mercapto-, 1,1'-((4,4-dimethyl-2,5-dioxo-1,3-imidazolidinediyl)di-2,1-ethanediyl) ester
- IUPAC
- 2-[4,4-dimethyl-2,5-dioxo-3-[2-(3-sulfanylpropanoyloxy)ethyl]imidazolidin-1-yl]ethyl 3-sulfanylpropanoate
名称と別名
EINECS 259-549-13-Mercaptopropionic acid, 1,3-bis(2-hydroxyethyl)-5,5-dimethylhydantoin diesterPropanoic acid, 3-mercapto-, (4,4-dimethyl-2,5-dioxo-1,3-imidazolidinediyl)di-2,1-ethanediyl esterPropanoic acid, 3-mercapto-, 1,1'-((4,4-dimethyl-2,5-dioxo-1,3-imidazolidinediyl)di-2,1-ethanediyl) ester(4,4-Dimethyl-2,5-dioxoimidazolidine-1,3-diyl)diethane-2,1-diyl)bis((3-mercaptopropionate)Propanoic acid, 3-mercapto-, 1,1'-[(4,4-dimethyl-2,5-dioxo-1,3-imidazolidinediyl)di-2,1-ethanediyl] esterRefChem:86950855250-78-7(4,4-Dimethyl-2,5-dioxo-1,3-imidazolidinediyl)di-2,1-ethanediyl 3-mercaptopropionate(4,4-Dimethyl-2,5-dioxoimidazolidine-1,3-diyl)bis(ethane-2,1-diyl) bis(3-mercaptopropanoate)DTXSID9069007SCHEMBL11554169
名称をさらに表示
LJOCSZWVBPUWHF-UHFFFAOYSA-NNS00033271(4,4-Dimethyl-2,5-dioxoimidazolidine-1,3-diyl)di(ethane-2,1-diyl) bis(3-sulfanylpropanoate)
物性
構造計算による物性
- XLogP
- 0.1
- 極性表面積
- 95.2 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 8
- 回転可能結合数
- 12
- 重原子数
- 25
- 形式電荷
- 0
- 複雑度
- 526
化学と産業
用途と製造
General Manufacturing InformationPropanoic acid, 3-mercapto-, 1,1'-[(4,4-dimethyl-2,5-dioxo-1,3-imidazolidinediyl)di-2,1-ethanediyl] ester: INACTIVE
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化合物ノート
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