DECYLTHIOACETIC ACID

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII P37W35C9F3
EPA CompTox DTXSID50146366

Structure

InChI Key XFSOHZKOJGKIDZ-UHFFFAOYSA-N
Smiles CCCCCCCCCCSCC(=O)O
InChI
InChI=1S/C12H24O2S/c1-2-3-4-5-6-7-8-9-10-15-11-12(13)14/h2-11H2,1H3,(H,13,14)

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H24O2S1
Molecular Weight 232.15
AlogP 3.94
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 11.0
Polar Surface Area 37.3
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 10428-63-4
NORMAN SUSDAT
FDA SRS P37W35C9F3
PubChem 82625
ChemSpider 74562.0
CONTENTS