Keyword(s): Human Metabolites
Molecule Category Free-form
UNII T8ID5YZU6Y
EPA CompTox DTXSID5041017

Structure

InChI Key VHJLVAABSRFDPM-QWWZWVQMSA-N
Smiles O[C@H](CS)[C@H](O)CS
InChI
InChI=1S/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2/t3-,4-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H10O2S2
Molecular Weight 154.01
AlogP -0.43
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 3.0
Polar Surface Area 40.46
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 3483-12-3
NORMAN SUSDAT
FDA SRS T8ID5YZU6Y
PubChem 446094