chempirical

Trimethylolpropane tris(3-mercaptopropionate)

C15H26O6S3CAS 33007-83-9398.55 g/mol

Open in Covalent MOL file
OOHSOOHSOOSH
EsterThiol

Properties

Molecular formula
C15H26O6S3
Molar mass
398.55 g/mol
Exact mass
398.0892 Da
logP
1.97Crippen estimate
Polar surface area
78.9 Ų
H-bond donors / acceptors
3 / 9
Rotatable bonds
13

Identifiers

CAS number
33007-83-9
SMILES
CCC(COC(=O)CCS)(COC(=O)CCS)COC(=O)CCS
InChIKey
IMQFZQVZKBIPCQ-UHFFFAOYSA-N
InChI
InChI=1S/C15H26O6S3/c1-2-15(9-19-12(16)3-6-22,10-20-13(17)4-7-23)11-21-14(18)5-8-24/h22-24H,2-11H2,1H3

Weigh it out

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

Names and synonyms

26 names · show all
  • Propanoic acid, 3-mercapto-, 1,1′-[2-ethyl-2-[(3-mercapto-1-oxopropoxy)methyl]-1,3-propanediyl] ester
  • Propionic acid, 3-mercapto-, triester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol
  • Propanoic acid, 3-mercapto-, 2-ethyl-2-[(3-mercapto-1-oxopropoxy)methyl]-1,3-propanediyl ester
  • 1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-, tris(3-mercaptopropionate)
  • P 33 (Ester)
  • Trimethylolpropane tris(β-mercaptopropionate)
  • Mercaptate P 33
  • P 33
  • 3TP6
  • TMTP
  • Thiocure TMPMP
  • TMMP
  • TMPMP
  • Epicure QX 30
  • Epikure QX 30
  • QX 30
  • JER Cure QX 30
  • Trimethylolpropane tris(3-mercaptopropanoate)
  • TMMP 20P
  • 1,1,1-Trimethylolpropane-tris(3-mercaptopropionate)
  • TMPTMP
  • SHC 001A
  • Sigma S 3
  • TMMP-II 20P
  • Trimethylolpropane tris(3-mercaptopropropionate)
  • 2,2-Bis(3-sulfanylpropanoyloxymethyl)butyl 3-sulfanylpropanoate

Work with Trimethylolpropane tris(3-mercaptopropionate)

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

Pentaerythritol tetra(3-mercaptopropionate)7575-23-775 % similar Trimethylolpropane tris(2-mercaptoacetate)10193-96-168 % similar 1,1′-[2-[[3-(3-Mercapto-1-oxopropoxy)-2,2-bis[(3-mercapto-1-oxopropoxy)methyl]propoxy]methyl]-2-[(3-mercapto-1-oxopropoxy)methyl]-1,3-propanediyl] bis(3-mercaptopropanoate)25359-71-168 % similar Pz 3352234-82-962 % similar Ethyl 3-mercaptopropionate5466-06-858 % similar 1,1′-(1,2-Ethanediyl) bis(3-mercaptopropanoate)22504-50-353 % similar Trimethylolpropane tris(2-methyl-1-aziridinyl)propionate64265-57-253 % similar Pentaerythrityl tetrastearate115-83-351 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook