Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID30952386

Structure

InChI Key PUZFDZFKIPUGSO-UHFFFAOYSA-N
Smiles S(SC(C)(C)C(C)C(C)(C)C(C)C(C)(C)C)C(C)(C)C(C)C(C)(C)C(C)C(C)(C)C
InChI
InChI=1/C28H58S2/c1-19(23(5,6)7)25(11,12)21(3)27(15,16)29-30-28(17,18)22(4)26(13,14)20(2)24(8,9)10/h19-22H,1-18H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H58S2
Molecular Weight 458.4
AlogP 10.61
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 9.0
Heavy Atoms 30.0

Cross References

Resources Reference
CAS NUMBER 29962-83-2
NORMAN SUSDAT
PubChem 121602