Chem
J-GLOBAL ID：201807012604107634
Nikkaji number：J3.718.695C
Acetic acid 5β-methyltetrahydrothiophene-3β-yl ester
酢酸5β-メチルテトラヒドロチオフェン-3β-イル
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： C7H12O2S
Molecular formula furigana： C7-H12-O2-S
Molecular weight： 160.230
InChI：
InChI=1S/C7H12O2S/c1-5-3-7(4-10-5)9-6(2)8/h5,7H,3-4H2,1-2H3/t5-,7+/m1/s1
InChI key：
KOJJJIHOQCFDRE-VDTYLAMSSA-N
SMILES：
C[C@@H]1C[C@@H](CS1)OC(=O)C
Systematic name (3)：
- 酢酸5β-メチルテトラヒドロチオフェン-3β-イル
- (3S,5R)-5-メチルチオラン-3-イル アセタート
- (3S,5R)-5-methylthiolan-3-yl acetate
- Acetic acid 5β-methyltetrahydrothiophene-3β-yl ester
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