5-[[3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]-2-thioxo-4-thiazolidinone

HCID 3071511

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

関連反応

31 件

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