chempirical

4,4′-Dithiodibutyric acid

C8H14O4S2CAS 2906-60-7238.32 g/mol

Open in Covalent MOL file
OHOSSOOH
Carboxylic acidDisulfide

Properties

Molecular formula
C8H14O4S2
Molar mass
238.32 g/mol
Exact mass
238.0334 Da
Melting point
109–110 °C
logP
2.10Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
9

Identifiers

CAS number
2906-60-7
SMILES
O=C(O)CCCSSCCCC(=O)O
InChIKey
YYSCJLLOWOUSHH-UHFFFAOYSA-N
InChI
InChI=1S/C8H14O4S2/c9-7(10)3-1-5-13-14-6-2-4-8(11)12/h1-6H2,(H,9,10)(H,11,12)

Weigh it out

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

Names and synonyms

9 names
  • Butanoic acid, 4,4′-dithiobis-
  • Butyric acid, 4,4′-dithiodi-
  • 4,4′-Dithiobis[butanoic acid]
  • γ,γ′-Dithiodibutyric acid
  • 3-Carboxypropyl disulfide
  • 4,4′-Dithiodibutanoic acid
  • Bis(3-carboxypropyl) disulfide
  • 4,4-Disulfanylbutyric acid
  • 4,4′-(Disulfanediyl)dibutanoic acid

Work with 4,4′-Dithiodibutyric 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

3,3′-Dithiodipropionic acid1119-62-671 % similar Glutaric acid110-94-165 % similar Pimelic acid111-16-062 % similar Sebacic acid111-20-662 % similar Pentadecanedioic acid1460-18-062 % similar Undecanedioic acid1852-04-662 % similar Heptadecanedioic acid2424-90-062 % similar Eicosanedioic acid2424-92-262 % similar

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

Same formula

Dimethyl 3,3′-dithiobis[propanoate]15441-06-2 1,1′-(1,2-Ethanediyl) bis(3-mercaptopropanoate)22504-50-3

Elsewhere

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