chempirical

Dithiodiglycolic acid

C4H6O4S2CAS 505-73-7182.21 g/mol

Open in Covalent MOL file
OHOSSOOH
Carboxylic acidDisulfide

Properties

Molecular formula
C4H6O4S2
Molar mass
182.21 g/mol
Exact mass
181.9708 Da
Melting point
109 °C
logP
0.54Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
5

Identifiers

CAS number
505-73-7
SMILES
O=C(O)CSSCC(=O)O
InChIKey
DLLMHEDYJQACRM-UHFFFAOYSA-N
InChI
InChI=1S/C4H6O4S2/c5-3(6)1-9-10-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)

Weigh it out

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

Names and synonyms

17 names · show all
  • Acetic acid, 2,2′-dithiobis-
  • Acetic acid, dithiodi-
  • 2,2′-Dithiobis[acetic acid]
  • Bis(mercaptoacetic acid)
  • Dithiodiacetic acid
  • Dithioglycolic acid
  • 2,2′-Dithiodiacetic acid
  • Thioglycolate disulfide
  • 2,2′-Dithiodiethanoic acid
  • Mercaptoacetic acid disulfide
  • NSC 54088
  • Bis(carboxymethyl) disulfide
  • 2,2′-Dithiobis(acetic acid)
  • 4-Dithiodiglycolic acid
  • 2,2′-Disulfanediyldiacetic acid
  • 2-[(Carboxymethyl)disulfanyl]acetic acid
  • 2-(Carboxymethyldisulfanyl)acetic acid

Work with Dithiodiglycolic 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

Thiodiglycolic acid123-93-367 % similar 2,2′-[Methylenebis(thio)]bis[acetic acid]2068-24-860 % similar (Methylthio)acetic acid2444-37-357 % similar 3,3′-Dithiodipropionic acid1119-62-652 % similar 2-(Ethylthio)acetic acid627-04-352 % similar 2,2′-[Carbonothioylbis(thio)]bis[acetic acid]6326-83-652 % similar Succinic acid110-15-650 % similar 4,4′-Dithiodibutyric acid2906-60-748 % similar

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

Same formula

Dimercaptosuccinic acid2418-14-6 meso-2,3-Dimercaptosuccinic acid304-55-2

Elsewhere

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