chempirical

Pentaerythritol tetra(3-mercaptopropionate)

C17H28O8S4CAS 7575-23-7488.64 g/mol

Open in Covalent MOL file
OHSOOOHSOOHSOOSH
EsterThiol

Properties

Molecular formula
C17H28O8S4
Molar mass
488.64 g/mol
Exact mass
488.0667 Da
Density
1.281 g/mL (at 25 °C)
logP
1.43Crippen estimate
Polar surface area
105.2 Ų
H-bond donors / acceptors
4 / 12
Rotatable bonds
16

Identifiers

CAS number
7575-23-7
SMILES
O=C(CCS)OCC(COC(=O)CCS)(COC(=O)CCS)COC(=O)CCS
InChIKey
JOBBTVPTPXRUBP-UHFFFAOYSA-N
InChI
InChI=1S/C17H28O8S4/c18-13(1-5-26)22-9-17(10-23-14(19)2-6-27,11-24-15(20)3-7-28)12-25-16(21)4-8-29/h26-29H,1-12H2

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

Names and synonyms

51 names · show all
  • PC-TOL M 490
  • Propanoic acid, 3-mercapto-, 1,1′-[2,2-bis[(3-mercapto-1-oxopropoxy)methyl]-1,3-propanediyl] ester
  • Propionic acid, 3-mercapto-, neopentanetetrayl ester
  • Propanoic acid, 3-mercapto-, 2,2-bis[(3-mercapto-1-oxopropoxy)methyl]-1,3-propanediyl ester
  • Pentaerythritol, tetrakis(3-mercaptopropionate)
  • Pentaerythritol tetrakis(β-mercaptopropionate)
  • Pentaerythrityl tetrakis(β-mercaptopropionate)
  • Q 43 (Polythiol)
  • Pentaerythritol mercaptopropionate
  • Mercaptate Q 43 ester
  • Pentaerythritol tetrakis(mercaptopropionate)
  • Pentaerythritol tetrakis(β-thiopropionate)
  • β-Mercaptopropionic acid tetraester with pentaerythritol
  • Pentaerythritol tetra-β-mercaptopropionate
  • Tetrakis(3-mercaptopropionate)pentaerythritol
  • Pentaerythritol tetra(mercaptopropionate)
  • Pentaerythritol tetrakis(3-mercaptopropanoate)
  • Epicure QX 40
  • PTMP
  • PTMP (accelerator)
  • Adeka EH 316
  • QX 40
  • Pentaerythritol tetra(β-thiopropionate)
  • PETP (polythiol)
  • PETP
  • Adeka EH 317
  • Q 43
  • Adeka hardener EH 317
  • 4SH
  • JER Cure QX 40
  • POS 405
  • PEMP
  • PEMP 20P
  • Thiocure PETMP low odor
  • Thiocure PETMP
  • PET 3MP
  • Tetramethylolmethane tetramercaptopropionate
  • EH 316
  • Pentaerythritol tetrakis(3-thiopropionate)
  • EH 317
  • Pentaerythritol (3-mercaptopropionate)
  • PBMP
  • PEMP-II 20P
  • PETMP
  • S 4P
  • PEMP 2-20P
  • Pentaerythritol terakis(3-mercaptopropionate)
  • [3-(3-Sulfanylpropanoyloxy)-2,2-bis(3-sulfanylpropanoyloxymethyl)propyl] 3-sulfanylpropanoate
  • Pentaerythritol tetrakis-(3-mercaptopropionoate)
  • Polythiol 402
  • Jingbo 402

Work with Pentaerythritol tetra(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

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)25359-71-188 % similar Trimethylolpropane tris(3-mercaptopropionate)33007-83-975 % similar 1,1′-(1,2-Ethanediyl) bis(3-mercaptopropanoate)22504-50-364 % similar Pentaerythritol tetrakis(2-mercaptoacetate)10193-99-462 % similar Ethyl 3-mercaptopropionate5466-06-857 % similar Pentaerythrityl tetrastearate115-83-355 % similar Methyl 3-mercaptopropionate2935-90-250 % similar Trimethylolpropane tris(2-mercaptoacetate)10193-96-147 % similar

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

Elsewhere

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