Keyword(s): Human Metabolites
Molecule Category Free-form
UNII T6GK9SHU3E

Structure

InChI Key PMQQFSDIECYOQV-UHFFFAOYSA-N
Smiles O=C(O)C1NCSC1(C)C
InChI
InChI=1/C6H11NO2S/c1-6(2)4(5(8)9)7-3-10-6/h4,7H,3H2,1-2H3,(H,8,9)

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H11NO2S
Molecular Weight 161.05
AlogP 0.51
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 49.33
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 15260-83-0
NORMAN SUSDAT
FDA SRS T6GK9SHU3E