Chem
J-GLOBAL ID:200907046646376556   Nikkaji number:J1.466.197B

(3S,4S)-1-Chloro-4-(phenylthio)heptane-3-ol

(3S,4S)-1-クロロ-4-(フェニルチオ)ヘプタン-3-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: C13H19ClOS
Molecular formula furigana: C13-H19-CL-O-S
Molecular weight: 258.800
InChI: InChI=1S/C13H19ClOS/c1-2-6-13(12(15)9-10-14)16-11-7-4-3-5-8-11/h3-5,7-8,12-13,15H,2,6,9-10H2,1H3/t12-,13-/m0/s1
InChI key: KYFGDJDMGGXPGJ-STQMWFEESA-N
SMILES: CCC[C@H](Sc1ccccc1)[C@@H](O)CCCl
Systematic name  (3):
  • (3S,4S)-1-クロロ-4-(フェニルチオ)ヘプタン-3-オール
  • (3S,4S)-1-クロロ-4-(フェニルスルファニル)ヘプタン-3-オール
  • (3S,4S)-1-chloro-4-(phenylsulfanyl)heptan-3-ol
Other name (1):
  • (3S,4S)-1-Chloro-4-(phenylthio)heptane-3-ol
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