chempirical

Methyltin tris(2-ethylhexyl mercaptoacetate)

C31H60O6S3SnCAS 57583-34-3743.71 g/mol

Open in Covalent MOL file
OOS−OOS−OOS−CH3Sn3+
Ester

Properties

Molecular formula
C31H60O6S3Sn
Molar mass
743.71 g/mol
Exact mass
744.2574 Da
logP
6.95Crippen estimate
Polar surface area
78.9 Ų
H-bond donors / acceptors
0 / 9
Rotatable bonds
21

Identifiers

CAS number
57583-34-3
SMILES
CCCCC(CC)COC(=O)C[S-].CCCCC(CC)COC(=O)C[S-].CCCCC(CC)COC(=O)C[S-].[CH3].[Sn+3]
InChIKey
ACRNSUGLVQJCOM-UHFFFAOYSA-K
InChI
InChI=1S/3C10H20O2S.CH3.Sn/c3*1-3-5-6-9(4-2)7-12-10(11)8-13;;/h3*9,13H,3-8H2,1-2H3;1H3;/q;;;;+3/p-3

Weigh it out

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

Names and synonyms

4 names
  • 8-Oxa-3,5-dithia-4-stannatetradecanoic acid, 10-ethyl-4-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]-4-methyl-7-oxo-, 2-ethylhexyl ester
  • Methyltin tris(2-ethylhexyl thioglycolate)
  • Monomethyltin tris(2-ethylhexyl mercaptoacetate)
  • 2-Ethylhexyl 10-ethyl-4-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]-4-methyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecanoate

Work with Methyltin tris(2-ethylhexyl 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

2-Ethylhexyl 10-ethyl-4,4-dimethyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecanoate57583-35-485 % similar Bis(2-ethylhexyl) adipate103-23-161 % similar Dioctyl azelate103-24-260 % similar Dioctyl sebacate122-62-360 % similar Ethylhexyl palmitate29806-73-358 % similar 2-Ethylhexyl thioglycolate7659-86-158 % similar 2-Ethylhexyl 3-mercaptopropionate50448-95-857 % similar 2-Ethylhexyl cyanoacetate13361-34-754 % similar

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

Elsewhere

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