Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID50982923

Structure

InChI Key URXNOJQCVQXMCT-UHFFFAOYSA-N
Smiles O=C(S)N1CCCC1
InChI
InChI=1/C5H9NOS/c7-5(8)6-3-1-2-4-6/h1-4H2,(H,7,8)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H9NOS
Molecular Weight 131.04
AlogP 1.13
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 20.31
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 64369-68-2
NORMAN SUSDAT
PubChem 3017515