Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID5041279

Structure

InChI Key IDIICHZCEIGXGB-UHFFFAOYSA-N
Smiles S=C(S)N1CCNCC1
InChI
InChI=1/C5H10N2S2/c8-5(9)7-3-1-6-2-4-7/h6H,1-4H2,(H,8,9)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H10N2S2
Molecular Weight 162.03
AlogP 0.11
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Polar Surface Area 15.27
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 99-00-3
NORMAN SUSDAT