Structure Database (LMSD)

Common Name
(S)-dihydrolipoic acid
Systematic Name
6S,8-dimercapto-octanoic acid
Synonyms
  • (6S)-6,8-disulfanyloctanoic acid
LM ID
LMFA01130003
Status
Active
Exact Mass
Calculate m/z
208.059174
Formula


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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
IZFHEQBZOYJLPK-ZETCQYMHSA-N
InChi (Click to copy)
InChI=1S/C8H16O2S2/c9-8(10)4-2-1-3-7(12)5-6-11/h7,11-12H,1-6H2,(H,9,10)/t7-/m0/s1
SMILES (Click to copy)
C(CCCC(=O)O)[C@H](S)CCS

References

Other Databases

Wikipedia
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 0
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 198.92
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 2.82
Molar Refractivity 58.35

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Updated at
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