chempirical

2,2′-[Methylenebis(thio)]bis[acetic acid]

C5H8O4S2CAS 2068-24-8196.24 g/mol

Open in Covalent MOL file
OHOSSOOH
Carboxylic acidSulfide

Properties

Molecular formula
C5H8O4S2
Molar mass
196.24 g/mol
Exact mass
195.9864 Da
Density
1.57 g/mL
Melting point
120–125 °C
Boiling point
126–128 °C (at 0.1 Torr)
logP
0.58Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
6

Identifiers

CAS number
2068-24-8
SMILES
O=C(O)CSCSCC(=O)O
InChIKey
CZEVAMMETWVBOD-UHFFFAOYSA-N
InChI
InChI=1S/C5H8O4S2/c6-4(7)1-10-3-11-2-5(8)9/h1-3H2,(H,6,7)(H,8,9)

Weigh it out

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

Names and synonyms

8 names
  • Acetic acid, 2,2′-[methylenebis(thio)]bis-
  • Acetic acid, (methylenedithio)di-
  • Methylenedithiodiacetic acid
  • Methylenebisthioglycolic acid
  • Methane-1,1-bis(mercaptoacetic acid)
  • NSC 163488
  • 2-(Carboxymethylsulfanylmethylsulfanyl)acetic acid
  • 2-([[(Carboxymethyl)sulfanyl]methyl]sulfanyl)acetic acid

Work with 2,2′-[Methylenebis(thio)]bis[acetic 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 acid123-93-378 % similar 2-(Ethylthio)acetic acid627-04-361 % similar Dithiodiglycolic acid505-73-760 % similar (Methylthio)acetic acid2444-37-352 % similar 2-[(Phenylmethyl)thio]acetic acid103-46-848 % similar Tetradecylthioacetic acid2921-20-248 % similar 2,2′-[Carbonothioylbis(thio)]bis[acetic acid]6326-83-648 % similar Thiodipropionic acid111-17-148 % similar

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

Same formula

1,1′-[Methylenebis(sulfonyl)]bis[ethene]3278-22-6

Elsewhere

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