Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID70931190

Structure

InChI Key LDVDYVUZEKIBDP-QWWZWVQMSA-N
Smiles O=S1(=O)CC(O)C(O)C1
InChI
InChI=1/C4H8O4S/c5-3-1-9(7,8)2-4(3)6/h3-6H,1-2H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H8O4S
Molecular Weight 152.01
AlogP -1.86
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Polar Surface Area 74.6
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 14176-47-7
NORMAN SUSDAT
PubChem 7059048