Chem
J-GLOBAL ID：200907007634593033   Nikkaji number：J733.487G

(1S,2S)-1-[1-(Phenylthio)cyclohexyl]-2-methyl-1,3-propanediol

(1S,2S)-1-[1-(フェニルチオ)シクロヘキシル]-2-メチル-1,3-プロパンジオール
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： C16H24O2S
Molecular formula furigana： C16-H24-O2-S
Molecular weight： 280.430
InChI： InChI=1S/C16H24O2S/c1-13(12-17)15(18)16(10-6-3-7-11-16)19-14-8-4-2-5-9-14/h2,4-5,8-9,13,15,17-18H,3,6-7,10-12H2,1H3/t13-,15-/m0/s1
InChI key： OKLORSUQZDCRTI-ZFWWWQNUSA-N
SMILES： C[C@@H](CO)[C@H](O)C1(CCCCC1)Sc1ccccc1
Systematic name  (4)：
  • (1S,2S)-1-[1-(フェニルチオ)シクロヘキシル]-2-メチル-1,3-プロパンジオール
  • (1S,2S)-1-[1-(フェニルチオ)シクロヘキシル]-2-メチルプロパン-1,3-ジオール
  • (1S,2S)-2-メチル-1-[1-(フェニルスルファニル)シクロヘキシル]プロパン-1,3-ジオール
  • (1S,2S)-2-methyl-1-[1-(phenylsulfanyl)cyclohexyl]propane-1,3-diol
Other name (2)：
  • (1S,2S)-1-[1-(Phenylthio)cyclohexyl]-2-methylpropane-1,3-diol
  • (1S,2S)-1-[1-(Phenylthio)cyclohexyl]-2-methyl-1,3-propanediol
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