Chem
J-GLOBAL ID:200907018169938918   Nikkaji number:J724.677C

(2R,3S,4R)-2,4-Dimethyl-5-(phenylthio)pentane-1,3-diol

(2R,3S,4R)-2,4-ジメチル-5-(フェニルチオ)ペンタン-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: C13H20O2S
Molecular formula furigana: C13-H20-O2-S
Molecular weight: 240.360
InChI: InChI=1S/C13H20O2S/c1-10(8-14)13(15)11(2)9-16-12-6-4-3-5-7-12/h3-7,10-11,13-15H,8-9H2,1-2H3/t10-,11+,13+/m1/s1
InChI key: UPOMGTPRPKLIHW-MDZLAQPJSA-N
SMILES: C[C@H](CO)[C@H](O)[C@@H](C)CSc1ccccc1
Systematic name  (3):
  • (2R,3S,4R)-2,4-ジメチル-5-(フェニルチオ)ペンタン-1,3-ジオール
  • (2R,3S,4R)-2,4-ジメチル-5-(フェニルスルファニル)ペンタン-1,3-ジオール
  • (2R,3S,4R)-2,4-dimethyl-5-(phenylsulfanyl)pentane-1,3-diol
Other name (1):
  • (2R,3S,4R)-2,4-Dimethyl-5-(phenylthio)pentane-1,3-diol
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