基本情報
- CAS
67739-23-5- 標準SMILES
CC(C)(C)c1cc(C=C2SC(=S)NC2=O)cc(C(C)(C)C)c1O- InChIKey
WBDPSYDYYOULLK-UHFFFAOYSA-N- 分子式
- C18H23NO2S2
- 平均分子量
- 349.5 g/mol
- 単同位体質量
- 349.11702098
名称と識別子
- 優先名称
- 5-[[3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]-2-thioxo-4-thiazolidinone
- IUPAC
- 5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
名称と別名
67739-23-55-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]-2-thioxo-4-thiazolidinoneC18H23NO2S25-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene}-2-thioxo-4-thiazolidinone5-{[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene}-2-thioxo-4-thiazolidinoneChemDiv3_001677SCHEMBL7768284DTXSID10388947WBDPSYDYYOULLK-UHFFFAOYSA-N5-(3,5-di-tert-butyl-4-hydroxyphenyl)methylenerhodanine5-[(3,5-bis (1,1-dimethylethyl)-4-hydroxyphenyl)methylene]-2-thioxo-4-thiazolidinone5-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylene]-2-thioxo-thiazolidin-4-one
名称をさらに表示
5-[[3,5-bis(1,1-dimethylethyl)-4hydroxyphenyl]methylene]-2-thioxo-4-thiazolidinone5-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene-2-thioxo-4-thiazolidinone5-{[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-methylene}-2-thioxo-4-thiazolidinone5-[(3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL)METHYLIDENE]-2-SULFANYLIDENE-1,3-THIAZOLIDIN-4-ONE
データベース識別子
- CAS
67739-23-5- PubChem CID
- 3071511
- DTXSID
DTXSID10388947
物性
構造計算による物性
- XLogP
- 5.8
- 極性表面積
- 107 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 4
- 回転可能結合数
- 3
- 重原子数
- 23
- 形式電荷
- 0
- 複雑度
- 504
関連反応
31 件
化合物ノート
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