Keyword(s): Human Metabolites
Molecule Category Free-form
UNII E5913T3IBL

Structure

InChI Key AFMIFWUUCHCHNN-UHFFFAOYSA-N
Smiles SC(=O)C1CCCN1
InChI
InChI=1S/C5H9NOS/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H9N1O1S1
Molecular Weight 131.04
AlogP 0.19
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 29.1
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 2756-91-4
NORMAN SUSDAT
FDA SRS E5913T3IBL