Chem
J-GLOBAL ID：200907015616579581   Nikkaji number：J886.668F

(S)-2-Hydroxy-2-isobutyl-4-oxo-4-(tert-butylthio)butanoic acid methyl ester

(S)-2-ヒドロキシ-2-イソブチル-4-オキソ-4-(tert-ブチルチオ)ブタン酸メチル
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： C13H24O4S
Molecular formula furigana： C13-H24-O4-S
Molecular weight： 276.390
InChI： InChI=1S/C13H24O4S/c1-9(2)7-13(16,11(15)17-6)8-10(14)18-12(3,4)5/h9,16H,7-8H2,1-6H3/t13-/m0/s1
InChI key： QXAOCCCWMFDHJH-ZDUSSCGKSA-N
SMILES： COC(=O)[C@](O)(CC(C)C)CC(=O)SC(C)(C)C
Systematic name  (4)：
  • (S)-2-ヒドロキシ-2-イソブチル-4-オキソ-4-(tert-ブチルチオ)ブタン酸メチル
  • (2S)-2-ヒドロキシ-2-[2-オキソ-2-(tert-ブチルチオ)エチル]-4-メチルペンタン酸メチル
  • メチル (2S)-2-[2-(tert-ブチルスルファニル)-2-オキソエチル]-2-ヒドロキシ-4-メチルペンタノアート
  • methyl (2S)-2-[2-(tert-butylsulfanyl)-2-oxoethyl]-2-hydroxy-4-methylpentanoate
Other name (2)：
  • (2S)-2-Hydroxy-2-[2-oxo-2-(tert-butylthio)ethyl]-4-methylpentanoic acid methyl ester
  • (S)-2-Hydroxy-2-isobutyl-4-oxo-4-(tert-butylthio)butanoic acid methyl ester
Thsaurus map：
Thesaurus Map

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