Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID2066985

Structure

InChI Key KWRGMBARTDLYSH-UHFFFAOYSA-N
Smiles CN1CCCNC1=S
InChI
InChI=1S/C5H10N2S/c1-7-4-2-3-6-5(7)8/h2-4H2,1H3,(H,6,8)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H10N2S1
Molecular Weight 130.06
AlogP 0.61
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Polar Surface Area 15.6
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 24421-05-4
NORMAN SUSDAT
PubChem 3034347
ChemSpider 2298825.0