Keyword(s): Human Metabolites
Molecule Category Free-form
UNII YTT13BN94Z
EPA CompTox DTXSID3047132

Structure

InChI Key LDKSCZJUIURGMW-UHFFFAOYSA-N
Smiles CSCCCN=C=S
InChI
InChI=1S/C5H9NS2/c1-8-4-2-3-6-5-7/h2-4H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H9N1S2
Molecular Weight 147.02
AlogP 1.84
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 12.36
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 505-79-3
NORMAN SUSDAT
FDA SRS YTT13BN94Z
PubChem 62351
ChemSpider 56142.0