Chem
J-GLOBAL ID：200907016535275665
Nikkaji number：J737.065B
4-Hydroxy-5-methyl-5-(phenylthio)-2-hexanone
4-ヒドロキシ-5-メチル-5-(フェニルチオ)-2-ヘキサノン
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
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
Molecular formula： C13H18O2S
Molecular formula furigana： C13-H18-O2-S
Molecular weight： 238.350
InChI：
InChI=1S/C13H18O2S/c1-10(14)9-12(15)13(2,3)16-11-7-5-4-6-8-11/h4-8,12,15H,9H2,1-3H3
InChI key：
ZTHVROTUPUKSKA-UHFFFAOYSA-N
SMILES：
CC(=O)CC(O)C(C)(C)Sc1ccccc1
Systematic name (3)：
- 4-ヒドロキシ-5-メチル-5-(フェニルチオ)-2-ヘキサノン
- 4-ヒドロキシ-5-メチル-5-(フェニルスルファニル)ヘキサン-2-オン
- 4-hydroxy-5-methyl-5-(phenylsulfanyl)hexan-2-one
- 4-Hydroxy-5-methyl-5-(phenylthio)-2-hexanone
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