Chem
J-GLOBAL ID：200907063753199995
Nikkaji number：J616.623G
(1β,5β)-8-Thiabicyclo[3.2.1]octan-3-one
(1α,5α)-8-チアビシクロ[3.2.1]オクタン-3-オン
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： C7H10OS
Molecular formula furigana： C7-H10-O-S
Molecular weight： 142.220
InChI：
InChI=1S/C7H10OS/c8-5-3-6-1-2-7(4-5)9-6/h6-7H,1-4H2/t6-,7+
InChI key：
WRKYCQOFEBORNV-KNVOCYPGSA-N
SMILES：
O=C1C[C@@H]2CC[C@H](C1)S2
Systematic name (4)：
- (1β,5β)-8-チアビシクロ[3.2.1]オクタン-3-オン
- (1α,5α)-8-チアビシクロ[3.2.1]オクタン-3-オン
- (1R,5S)-8-チアビシクロ[3.2.1]オクタン-3-オン
- (1R,5S)-8-thiabicyclo[3.2.1]octan-3-one
- (1β,5β)-8-Thiabicyclo[3.2.1]octan-3-one
- (1α,5α)-8-Thiabicyclo[3.2.1]octane-3-one
- (1R,5S)-8-Thiabicyclo[3.2.1]octane-3-one
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