基本情報
- 標準SMILES
CN1CSC(=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O- InChIKey
IXCMEASJCGKKQS-UHFFFAOYSA-N- 分子式
- C19H27NO2S
- 平均分子量
- 333.5 g/mol
名称と識別子
- 優先名称
- 5-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methylene-N-methyl-4-thiazolidinone
- IUPAC
- 5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
名称と別名
5-(3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl)methylene-N-methyl-4-thiazolidinoneRefChem:9131235-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one4-Thiazolidinone,5-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]-3-methyl-5-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]-3-methyl-4-thiazolidinone5-{[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene}-3-methyl-4-thiazolidinoneorb1700075SCHEMBL8532780IXCMEASJCGKKQS-UHFFFAOYSA-N5-{[3,5-bis(1,1-dimethylethyl)-4hydroxyphenyl]methylene}-3-methyl-4-thiazolidinone
データベース識別子
- PubChem CID
- 130001
物性
構造計算による物性
- XLogP
- 5.4
- 極性表面積
- 65.8 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 3
- 回転可能結合数
- 3
- 重原子数
- 23
- 形式電荷
- 0
- 複雑度
- 463
関連反応
8 件
関連ノート
読み込み中…