chempirical

Dihydrolipoic acid

C8H16O2S2CAS 7516-48-5208.33 g/mol

Open in Covalent MOL file
OHOSHSH
Carboxylic acidThiol

Properties

Molecular formula
C8H16O2S2
Molar mass
208.33 g/mol
Exact mass
208.0592 Da
Density
1.132 g/mL (at 20 °C)
Melting point
62 °C
Boiling point
161.5 °C (at 0.7 Torr)
logP
2.25Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
7

Identifiers

CAS number
7516-48-5
SMILES
O=C(O)CCCCC(S)CCS
InChIKey
IZFHEQBZOYJLPK-UHFFFAOYSA-N
InChI
InChI=1S/C8H16O2S2/c9-8(10)4-2-1-3-7(12)5-6-11/h7,11-12H,1-6H2,(H,9,10)

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

14 names · show all
  • Octanoic acid, 6,8-dimercapto-
  • 6,8-Dimercaptooctanoic acid
  • Dihydrothioctic acid
  • 6,8-Dihydrothioctic acid
  • α-Lipoic acid, dihydro-
  • Reduced lipoic acid
  • Reduced thioctic acid
  • Thioctic acid, dihydro-
  • 6,8-Dithiooctanoic acid
  • DL-Dihydro-α-lipoic acid
  • Dl-Dihydrolipoic acid
  • (±)-Dihydrolipoic acid
  • (±)-Dihydro-α-lipoic acid
  • γ-Lipoic acid

Work with Dihydrolipoic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

11-Mercaptoundecanoic acid71310-21-958 % similar Isostearic acid2724-58-553 % similar 3-Mercaptopropionic acid107-96-050 % similar Cyclohexanebutanoic acid4441-63-848 % similar Pimelic acid111-16-048 % similar Sebacic acid111-20-648 % similar Pentadecanedioic acid1460-18-048 % similar Heptadecanedioic acid2424-90-048 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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