Keyword(s): Human Metabolites
Molecule Category Free-form
UNII T2X64P2YJA
EPA CompTox DTXSID90239145

Structure

InChI Key DYLSBDPBASJBDZ-UHFFFAOYSA-N
Smiles ClCCSC#N
InChI
InChI=1S/C3H4ClNS/c4-1-2-6-3-5/h1-2H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H4Cl1N1S1
Molecular Weight 120.98
AlogP 1.44
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 23.79
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 928-57-4
NORMAN SUSDAT
FDA SRS T2X64P2YJA
PubChem 70231
ChemSpider 63416.0