chempirical

Thiodiglycolic acid

C4H6O4SCAS 123-93-3150.15 g/mol

Open in Covalent MOL file
OHOSOOH
Carboxylic acidSulfide

Properties

Molecular formula
C4H6O4S
Molar mass
150.15 g/mol
Exact mass
149.9987 Da
Melting point
129 °C
logP
-0.11Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4

Identifiers

CAS number
123-93-3
SMILES
O=C(O)CSCC(=O)O
InChIKey
UVZICZIVKIMRNE-UHFFFAOYSA-N
InChI
InChI=1S/C4H6O4S/c5-3(6)1-9-2-4(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

18 names · show all
  • Acetic acid, 2,2′-thiobis-
  • Acetic acid, thiodi-
  • Acetic acid, thiobis-
  • 2,2′-Thiobis[acetic acid]
  • Dimethylsulfide-α,α′-dicarboxylic acid
  • Mercaptodiacetic acid
  • Thiodiacetic acid
  • β,β′-Thiodiglycolic acid
  • 2,2′-Thiodiglycolic acid
  • (Carboxymethylthio)acetic acid
  • Dicarboxymethyl sulfide
  • 2,2′-Thiodiethanoic acid
  • 2,2′-Thiodiacetic acid
  • NSC 28743
  • NSC 40469
  • NSC 52326
  • 2-(Carboxymethylsulfanyl)acetic acid
  • 2-[(Carboxymethyl)sulfanyl]acetic acid

Work with Thiodiglycolic 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

2,2′-[Methylenebis(thio)]bis[acetic acid]2068-24-878 % similar Dithiodiglycolic acid505-73-767 % similar 2-(Ethylthio)acetic acid627-04-367 % similar (Methylthio)acetic acid2444-37-357 % similar Thiodipropionic acid111-17-152 % similar 2,2′-[Carbonothioylbis(thio)]bis[acetic acid]6326-83-652 % similar 2-[(Phenylmethyl)thio]acetic acid103-46-852 % similar Tetradecylthioacetic acid2921-20-252 % similar

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

Same formula

Thiomalic acid70-49-5

Elsewhere

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