Chem
J-GLOBAL ID：200907066891412712   Nikkaji number：J574.652C

CI-987

5-(3,5-ジ-tert-ブチル-4-ヒドロキシベンジリデン)チアゾール-2,4(3H,5H)-ジオン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C18H23NO3S
Molecular formula furigana： C18-H23-N-O3-S
Molecular weight： 333.450
InChI： InChI=1S/C18H23NO3S/c1-17(2,3)11-7-10(8-12(14(11)20)18(4,5)6)9-13-15(21)19-16(22)23-13/h7-9,20H,1-6H3,(H,19,21,22)
InChI key： VMWQYEAAXYPFCW-UHFFFAOYSA-N
SMILES： CC(C)(C)c1cc(C=C2SC(=NC2=O)O)cc(c1O)C(C)(C)C
Systematic name  (4)：
  • 2-ヒドロキシ-5-(3,5-ジ-tert-ブチル-4-ヒドロキシベンジリデン)チアゾール-4(5H)-オン
  • 5-(3,5-ジ-tert-ブチル-4-ヒドロキシベンジリデン)チアゾール-2,4(3H,5H)-ジオン
  • 5-[(3,5-ジ-tert-ブチル-4-ヒドロキシフェニル)メチリデン]-2-ヒドロキシ-4,5-ジヒドロ-1,3-チアゾール-4-オン
  • 5-[(3,5-di-tert-butyl-4-hydroxyphenyl)methylidene]-2-hydroxy-4,5-dihydro-1,3-thiazol-4-one
Other name (3)：
  • 2-Hydroxy-5-(3,5-di-tert-butyl-4-hydroxybenzylidene)thiazol-4(5H)-one
  • CI-987
  • 5-(3,5-Di-tert-butyl-4-hydroxybenzylidene)thiazole-2,4(3H,5H)-dione
CAS registry number： 127378-46-5
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