Chem
J-GLOBAL ID：200907071922463179   Nikkaji number：J733.485K

(2S,3S,4R)-2,4-Dimethyl-4-(phenylthio)hexane-1,3-diol

(2S,3S,4R)-2,4-ジメチル-4-(フェニルチオ)ヘキサン-1,3-ジオール
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： C14H22O2S
Molecular formula furigana： C14-H22-O2-S
Molecular weight： 254.390
InChI： InChI=1S/C14H22O2S/c1-4-14(3,13(16)11(2)10-15)17-12-8-6-5-7-9-12/h5-9,11,13,15-16H,4,10H2,1-3H3/t11-,13-,14+/m0/s1
InChI key： AMBXGMRNTXMCRY-FPMFFAJLSA-N
SMILES： CC[C@@](C)(Sc1ccccc1)[C@@H](O)[C@@H](C)CO
Systematic name  (3)：
  • (2S,3S,4R)-2,4-ジメチル-4-(フェニルチオ)ヘキサン-1,3-ジオール
  • (2S,3S,4R)-2,4-ジメチル-4-(フェニルスルファニル)ヘキサン-1,3-ジオール
  • (2S,3S,4R)-2,4-dimethyl-4-(phenylsulfanyl)hexane-1,3-diol
Other name (1)：
  • (2S,3S,4R)-2,4-Dimethyl-4-(phenylthio)hexane-1,3-diol
Thsaurus map：
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