Keyword(s): Human Metabolites
Molecule Category Salt-form
EPA CompTox DTXSID10971151

Structure

InChI Key HCEREWKVPIQLGP-UHFFFAOYSA-N
Smiles [Cl-].SCCC[NH+](C)C
InChI
InChI=1/C5H13NS.ClH/c1-6(2)4-3-5-7;/h7H,3-5H2,1-2H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H13NS
Molecular Weight 155.05
AlogP 1.29
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 3.24
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 55778-17-1
NORMAN SUSDAT
PubChem 3016998