Keyword(s): Human Metabolites
Molecule Category Free-form
UNII CTE370DL3U
EPA CompTox DTXSID80196117

Structure

InChI Key IHQDGXUYTSZGOG-UHFFFAOYSA-N
Smiles CSCCCCN=C=S
InChI
InChI=1S/C6H11NS2/c1-9-5-3-2-4-7-6-8/h2-5H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H11N1S2
Molecular Weight 161.03
AlogP 2.23
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 12.36
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 4430-36-8
NORMAN SUSDAT
FDA SRS CTE370DL3U