chempirical

Thiodipropionic acid

C6H10O4SCAS 111-17-1178.20 g/mol

Open in Covalent MOL file
OHOSOOH
Carboxylic acidSulfide

Properties

Molecular formula
C6H10O4S
Molar mass
178.20 g/mol
Exact mass
178.0300 Da
Melting point
134 °C
logP
0.67Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
6

Identifiers

CAS number
111-17-1
SMILES
O=C(O)CCSCCC(=O)O
InChIKey
ODJQKYXPKWQWNK-UHFFFAOYSA-N
InChI
InChI=1S/C6H10O4S/c7-5(8)1-3-11-4-2-6(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

16 names · show all
  • Propanoic acid, 3,3′-thiobis-
  • Propionic acid, 3,3′-thiodi-
  • 3,3′-Thiobis[propanoic acid]
  • Diethyl sulfide 2,2′-dicarboxylic acid
  • TDPA
  • 4-Thiaheptanedioic acid
  • Thiodihydracrylic acid
  • β,β′-Thiodipropionic acid
  • 3,3′-Thiodipropionic acid
  • Tyox A
  • 3,3′-Thiodipropanoic acid
  • Bis(2-carboxyethyl) sulfide
  • NSC 65523
  • NSC 8166
  • Antioxidant 39620
  • 3-[(2-Carboxyethyl)sulfanyl]propanoic acid

Work with Thiodipropionic 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 acid1119-62-670 % similar Succinic acid110-15-661 % similar 3-(Methylthio)propanoic acid646-01-561 % similar 4,4′-Dithiodibutyric acid2906-60-757 % similar 3-[[(Acetylamino)methyl]thio]propanoic acid52574-08-055 % similar Glutaric acid110-94-155 % similar Adipic acid124-04-955 % similar Pimelic acid111-16-052 % similar

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

Same formula

1,1′-Dimethyl 2,2′-thiobis[acetate]16002-29-2 Tetrahydro-2H-thiopyran-4-carboxylic acid 1,1-dioxide64096-87-3

Elsewhere

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