Keyword(s): Human Metabolites
Molecule Category Free-form
UNII M6U1ZG59XD
EPA CompTox DTXSID8074815

Structure

InChI Key SLYRGJDSFOCAAI-UHFFFAOYSA-N
Smiles O=C1NCCS1
InChI
InChI=1S/C3H5NOS/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H5N1O1S1
Molecular Weight 103.01
AlogP 0.65
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Polar Surface Area 32.59
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 2682-49-7
NORMAN SUSDAT
FDA SRS M6U1ZG59XD
PubChem 97431
ChemSpider 87940.0