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

Structure

InChI Key MPOFVZMCKSOGHZ-UHFFFAOYSA-N
Smiles CCCNP(N)(N)=S
InChI
InChI=1S/C3H12N3PS/c1-2-3-6-7(4,5)8/h2-3H2,1H3,(H5,4,5,6,8)

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H12N3P1S1
Molecular Weight 153.05
AlogP 0.13
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 64.07
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 916809-14-8
NORMAN SUSDAT
PubChem 56623889
ChemSpider 23353614.0