Keyword(s): Human Metabolites
Molecule Category Salt-form
EPA CompTox DTXSID40187420

Structure

InChI Key DFKDEYQSJVMWHX-UHFFFAOYSA-N
Smiles Cl.CNCCS
InChI
InChI=1S/C3H9NS/c1-4-2-3-5/h4-5H,2-3H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H9N1S1
Molecular Weight 91.05
AlogP 0.14
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 12.03
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 33744-33-1
NORMAN SUSDAT
PubChem 214693
ChemSpider 105776.0