Chem
J-GLOBAL ID：200907022258751144
Nikkaji number：J125.770F
S-Methyl hexanethioate
ヘキサンチオ酸S-メチル
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： C7H14OS
Molecular formula furigana： C7-H14-O-S
Molecular weight： 146.250
InChI：
InChI=1S/C7H14OS/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3
InChI key：
AKGAHYLJHAOPKQ-UHFFFAOYSA-N
SMILES：
CCCCCC(=O)SC
Systematic name (3)：
- ヘキサンチオ酸S-メチル
- 1-(メチルスルファニル)ヘキサン-1-オン
- 1-(methylsulfanyl)hexan-1-one
- Hexanethioic acid S-methyl ester
- S-Methyl hexanethioate
Regulation number (2)：
- EINECS2194108
- TSCA(2432-77-1)
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