Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 9C8F910HLK
EPA CompTox DTXSID3044469

Structure

InChI Key WSYUEVRAMDSJKL-UHFFFAOYSA-N
Smiles NCCO[S](O)(=O)=O
InChI
InChI=1S/C2H7NO4S/c3-1-2-7-8(4,5)6/h1-3H2,(H,4,5,6)

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H7N1O4S1
Molecular Weight 141.01
AlogP -1.24
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 89.62
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 926-39-6
NORMAN SUSDAT
FDA SRS 9C8F910HLK
ChemSpider 63409.0