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

Structure

InChI Key USVCRBGYQRVTNK-UHFFFAOYSA-N
Smiles CC(=O)CS
InChI
InChI=1S/C3H6OS/c1-3(4)2-5/h5H,2H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H6O1S1
Molecular Weight 90.01
AlogP 0.51
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 17.07
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 24653-75-6
NORMAN SUSDAT