chempirical

2,2′-Dithiodibenzoic acid

C14H10O4S2CAS 119-80-2306.35 g/mol

Open in Covalent MOL file
OHOSSOHO
Carboxylic acidDisulfide

Properties

Molecular formula
C14H10O4S2
Molar mass
306.35 g/mol
Exact mass
306.0021 Da
Melting point
289 °C
logP
3.88Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
5

Identifiers

CAS number
119-80-2
SMILES
O=C(O)c1ccccc1SSc1ccccc1C(=O)O
InChIKey
LBEMXJWGHIEXRA-UHFFFAOYSA-N
InChI
InChI=1S/C14H10O4S2/c15-13(16)9-5-1-3-7-11(9)19-20-12-8-4-2-6-10(12)14(17)18/h1-8H,(H,15,16)(H,17,18)

Weigh it out

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

Names and synonyms

13 names · show all
  • Benzoic acid, 2,2′-dithiobis-
  • Benzoic acid, 2,2′-dithiodi-
  • Benzoic acid, o,o′-dithiobis-
  • 2,2′-Dithiobis[benzoic acid]
  • Bis(2-carboxyphenyl) disulfide
  • Diphenyl disulfide-2,2′-dicarboxylic acid
  • Bis(o-carboxylphenyl) disulfide
  • Dithiosalicylic acid
  • NSC 405662
  • NSC 213
  • NSC 5346
  • NSC 633230
  • 2-[(2-Carboxyphenyl)disulfanyl]benzoic acid

Work with 2,2′-Dithiodibenzoic 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

2-(Methylthio)benzoic acid3724-10-569 % similar Phthalic acid88-99-367 % similar 2-[(Carboxymethyl)thio]benzoic acid135-13-761 % similar Diphenic acid482-05-359 % similar Ammonium phthalate523-24-059 % similar Salicylic acid69-72-755 % similar 2-Bromobenzoic acid88-65-355 % similar Hemimellitic acid569-51-754 % similar

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

Same formula

3,3′-Dithiobis[benzoic acid]1227-49-2

Elsewhere

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