chempirical

3,3′-Dithiodipropionic acid

C6H10O4S2CAS 1119-62-6210.26 g/mol

Open in Covalent MOL file
OHOSSOOH
Carboxylic acidDisulfide

Properties

Molecular formula
C6H10O4S2
Molar mass
210.26 g/mol
Exact mass
210.0021 Da
Melting point
156–157 °C
logP
1.32Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
7

Identifiers

CAS number
1119-62-6
SMILES
O=C(O)CCSSCCC(=O)O
InChIKey
YCLSOMLVSHPPFV-UHFFFAOYSA-N
InChI
InChI=1S/C6H10O4S2/c7-5(8)1-3-11-12-4-2-6(9)10/h1-4H2,(H,7,8)(H,9,10)

Weigh it out

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

Names and synonyms

17 names · show all
  • Propanoic acid, 3,3′-dithiobis-
  • Propionic acid, 3,3′-dithiodi-
  • Propionic acid, β,β′-dithiodi-
  • Propionic acid, β,β′-dithiobis-
  • 3,3′-Dithiobis[propanoic acid]
  • β,β′-Dithiodipropionic acid
  • 2-Carboxyethyl disulfide
  • Bis(2-carboxyethyl)disulfide
  • 3,3′-Dithiodipropanoic acid
  • 3,3-Dithiobispropionic acid
  • NSC 677544
  • NSC 18841
  • DTDPA
  • Disulfide dipropanoic acid
  • 3,3′-Bisthiodipropionic acid
  • 3,3′-Disulfanediyldipropanoic acid
  • 3-[(2-Carboxyethyl)disulfanyl]propanoic acid

Work with 3,3′-Dithiodipropionic 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

4,4′-Dithiodibutyric acid2906-60-771 % similar Thiodipropionic acid111-17-170 % similar Succinic acid110-15-661 % similar 3-(Methylthio)propanoic acid646-01-561 % similar Glutaric acid110-94-155 % similar 3-Mercaptopropionic acid107-96-055 % similar Pimelic acid111-16-052 % similar Sebacic acid111-20-652 % similar

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

Same formula

Glycol dimercaptoacetate123-81-9

Elsewhere

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