dihydrolipoic acid   Click here for help

GtoPdb Ligand ID: 6738

Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 114.9
Molecular weight 208.06
XLogP 2.4
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES SCCC(CCCCC(=O)O)S
Isomeric SMILES SCCC(CCCCC(=O)O)S
InChI InChI=1S/C8H16O2S2/c9-8(10)4-2-1-3-7(12)5-6-11/h7,11-12H,1-6H2,(H,9,10)
InChI Key IZFHEQBZOYJLPK-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
6,8-bis-sulfanyloctanoic acid
Database Links Click here for help
CAS Registry No. 462-20-4 (source: Scifinder)
ChEBI CHEBI:18047
GtoPdb PubChem SID 178103349
PubChem CID 421
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Wikipedia Dihydrolipoic_acid