Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 126JI237AW

Structure

InChI Key TUFJIDJGIQOYFY-UHFFFAOYSA-N
Smiles S=C=NC(C)CC
InChI
InChI=1/C5H9NS/c1-3-5(2)6-4-7/h5H,3H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H9NS
Molecular Weight 115.05
AlogP 1.89
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 12.36
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 4426-79-3
NORMAN SUSDAT
FDA SRS 126JI237AW
PubChem 78151