Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 195Q407A4U
EPA CompTox DTXSID10888619

Structure

InChI Key CJZPPTPIWLYBJR-UHFFFAOYSA-N
Smiles CC1=NCSC1CCO
InChI
InChI=1S/C6H11NOS/c1-5-6(2-3-8)9-4-7-5/h6,8H,2-4H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H11N1O1S1
Molecular Weight 145.06
AlogP 0.9
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 32.59
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 84041-80-5
NORMAN SUSDAT
FDA SRS 195Q407A4U
PubChem 163401
ChemSpider 143362.0