Keyword(s): Human Metabolites
Molecule Category Free-form
UNII N6Q6DV6SQL
EPA CompTox DTXSID20169901

Structure

InChI Key TZCFWOHAWRIQGF-UHFFFAOYSA-N
Smiles SCCCCl
InChI
InChI=1S/C3H7ClS/c4-2-1-3-5/h5H,1-3H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H7Cl1S1
Molecular Weight 110.0
AlogP 1.55
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 17481-19-5
NORMAN SUSDAT
FDA SRS N6Q6DV6SQL
PubChem 87134
ChemSpider 78599.0