Trimethylolpropane tris(2-mercaptoacetate)

C₁₂H₂₀O₆S₃CAS 10193-96-1356.47 g/mol

Open in Covalent MOL file

Ester Thiol

Properties

Molecular formula: C₁₂H₂₀O₆S₃
Molar mass: 356.47 g/mol
Exact mass: 356.0422 Da
logP: 0.80Crippen estimate
Polar surface area: 78.9 Å²
H-bond donors / acceptors: 3 / 9
Rotatable bonds: 10

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin97.6% of notifiers
H315 Causes skin irritation97.6% of notifiers
H319 Causes serious eye irritation97.6% of notifiers
H332 Harmful if inhaled97.6% of notifiers
H335 May cause respiratory irritation95.2% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

10193-96-1

SMILES

CCC(COC(=O)CS)(COC(=O)CS)COC(=O)CS

InChIKey

KAJBSGLXSREIHP-UHFFFAOYSA-N

InChI

InChI=1S/C12H20O6S3/c1-2-12(6-16-9(13)3-19,7-17-10(14)4-20)8-18-11(15)5-21/h19-21H,2-8H2,1H3

Weigh it out

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

Names and synonyms

14 names · show all

Acetic acid, 2-mercapto-, 1,1'-[2-ethyl-2-[[(2-mercaptoacetyl)oxy]methyl]-1,3-propanediyl] ester
Acetic acid, 2-mercapto-, 1,1′-[2-ethyl-2-[[(2-mercaptoacetyl)oxy]methyl]-1,3-propanediyl] ester
2-Ethyl-2-[[(mercaptoacetyl)oxy]methyl]-1,3-propanediyl bis(mercaptoacetate)
Thiocure TMPMA
1,1,1-Trimethylolpropane-tris(2-mercaptoacetate)
Trimethylolpropane tris(3-mercaptoacetate)
2,2-Bis[(2-sulfanylacetyl)oxymethyl]butyl 2-sulfanylacetate
Acetic acid, mercapto-, triester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol
Acetic acid, mercapto-, 2-ethyl-2-[[(mercaptoacetyl)oxy]methyl]-1,3-propanediyl ester
1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-, tris(mercaptoacetate)
Trimethylolpropane trithioglycolate
Trimethylolpropane tris(mercaptoacetate)
Trimethylolpropane tris(thioglycolate)
NSC 54090

Work with Trimethylolpropane tris(2-mercaptoacetate)

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 tetrakis(2-mercaptoacetate)10193-99-473 % similar Trimethylolpropane tris(3-mercaptopropionate)33007-83-968 % similar PZ 3352234-82-956 % similar Ethyl mercaptoacetate623-51-855 % similar Glycol dimercaptoacetate123-81-950 % similar Butyl thioglycolate10047-28-648 % similar Trimethylolpropane tris(2-methyl-1-aziridinyl)propionate64265-57-248 % similar Pentaerythritol tetra(3-mercaptopropionate)7575-23-747 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook