Keyword(s): Human Metabolites
Molecule Category Free-form
UNII FJW5HJJ2ZJ
EPA CompTox DTXSID0060808

Structure

InChI Key XYWDPYKBIRQXQS-UHFFFAOYSA-N
Smiles CC(C)SC(C)C
InChI
InChI=1S/C6H14S/c1-5(2)7-6(3)4/h5-6H,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H14S1
Molecular Weight 118.08
AlogP 2.54
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 625-80-9
NORMAN SUSDAT
FDA SRS FJW5HJJ2ZJ
PubChem 12264
ChemSpider 11761.0