Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID50171991

Structure

InChI Key KRUJXSIEMOWXOF-UHFFFAOYSA-N
Smiles CCSCCCO
InChI
InChI=1S/C5H12OS/c1-2-7-5-3-4-6/h6H,2-5H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H12O1S1
Molecular Weight 120.06
AlogP 1.12
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 20.23
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 18721-61-4
NORMAN SUSDAT
PubChem 87762
ChemSpider 79178.0