Keyword(s): Human Metabolites
Molecule Category Free-form
UNII C37FZ8G73Y
EPA CompTox DTXSID70167674

Structure

InChI Key AJWVDGABWLKIGT-UHFFFAOYSA-N
Smiles CCC(C)(S)CC
InChI
InChI=1S/C6H14S/c1-4-6(3,7)5-2/h7H,4-5H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H14S1
Molecular Weight 118.08
AlogP 2.49
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 1639-03-8
NORMAN SUSDAT
FDA SRS C37FZ8G73Y
PubChem 74226
ChemSpider 66833.0