2-(2,6-OCTADIENYLTHIO)ETHANOL

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

Structure

InChI Key FEAIFWLZCMLWTH-UHFFFAOYSA-N
Smiles OCCSCC=CCCC=CC
InChI
InChI=1/C10H18OS/c1-2-3-4-5-6-7-9-12-10-8-11/h2-3,6-7,11H,4-5,8-10H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H18OS
Molecular Weight 186.11
AlogP 2.62
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 20.23
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 94135-33-8
NORMAN SUSDAT
PubChem 3023713
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