Keyword(s): Human Metabolites
Molecule Category Free-form
UNII AMA3K68V79
EPA CompTox DTXSID0068311

Structure

InChI Key QAZFSCRQNWGQDE-UHFFFAOYSA-N
Smiles CC1(C)SC(=S)NC1=O
InChI
InChI=1S/C5H7NOS2/c1-5(2)3(7)6-4(8)9-5/h1-2H3,(H,6,7,8)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H7N1O1S2
Molecular Weight 161.0
AlogP 1.75
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Polar Surface Area 32.59
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 41434-28-0
NORMAN SUSDAT
FDA SRS AMA3K68V79
PubChem 3037174
ChemSpider 2300990.0