Keyword(s): Human Metabolites
Molecule Category Free-form
UNII XDX36AS4VH
EPA CompTox DTXSID4066048

Structure

InChI Key PHWISQNXPLXQRU-UHFFFAOYSA-N
Smiles CN(C)C(=S)Cl
InChI
InChI=1S/C3H6ClNS/c1-5(2)3(4)6/h1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H6Cl1N1S1
Molecular Weight 122.99
AlogP 1.07
Hydrogen Bond Acceptor 1.0
Polar Surface Area 3.24
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 16420-13-6
NORMAN SUSDAT
FDA SRS XDX36AS4VH
PubChem 27871
ChemSpider 25932.0