Keyword(s): Human Metabolites
Molecule Category Salt-form
EPA CompTox DTXSID70946880

Structure

InChI Key QQRODCVDMUHZCX-UHFFFAOYSA-N
Smiles Cl.S1C=C(N)C(=C1)C
InChI
InChI=1/C5H7NS.ClH/c1-4-2-7-3-5(4)6;/h2-3H,6H2,1H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H7NS
Molecular Weight 149.01
AlogP 2.06
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Polar Surface Area 26.02
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 24030-00-0
NORMAN SUSDAT
PubChem 5743396