Keyword(s): Human Metabolites
Molecule Category Salt-form
UNII K6B9FA7KZP
EPA CompTox DTXSID80194375

Structure

InChI Key UTPHRZRWMXLNIK-UHFFFAOYSA-N
Smiles Cl.SCCN(C(C)C)C(C)C
InChI
InChI=1/C8H19NS.ClH/c1-7(2)9(5-6-10)8(3)4;/h7-8,10H,5-6H2,1-4H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H19NS
Molecular Weight 197.1
AlogP 2.46
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 3.24
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 41480-75-5
NORMAN SUSDAT
FDA SRS K6B9FA7KZP
PubChem 111102