Keyword(s): Human Metabolites
Molecule Category Free-form
UNII LIX7OM008P

Structure

InChI Key RJGYJMFQWGPBGM-UHFFFAOYSA-N
Smiles O=[S]1(=O)CCNCN1
InChI
InChI=1S/C3H8N2O2S/c6-8(7)2-1-4-3-5-8/h4-5H,1-3H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H8N2O2S1
Molecular Weight 136.03
AlogP -1.53
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Polar Surface Area 58.2
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 38668-01-8
NORMAN SUSDAT
FDA SRS LIX7OM008P