chempirical

2-Ethylhexyl 10-ethyl-4,4-dimethyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecanoate

C22H44O4S2SnCAS 57583-35-4555.42 g/mol

Open in Covalent MOL file
OOS−OOS−CH3CH3Sn2+
Ester

Properties

Molecular formula
C22H44O4S2Sn
Molar mass
555.42 g/mol
Exact mass
556.1703 Da
logP
5.11Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
14

Identifiers

CAS number
57583-35-4
SMILES
CCCCC(CC)COC(=O)C[S-].CCCCC(CC)COC(=O)C[S-].[CH3].[CH3].[Sn+2]
InChIKey
YAHBZWSDRFSFOO-UHFFFAOYSA-L
InChI
InChI=1S/2C10H20O2S.2CH3.Sn/c2*1-3-5-6-9(4-2)7-12-10(11)8-13;;;/h2*9,13H,3-8H2,1-2H3;2*1H3;/q;;;;+2/p-2

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Names and synonyms

16 names · show all
  • 8-Oxa-3,5-dithia-4-stannatetradecanoic acid, 10-ethyl-4,4-dimethyl-7-oxo-, 2-ethylhexyl ester
  • Dimethyltin bis(2-ethylhexyl mercaptoacetate)
  • Dimethyltin bis(2-ethylhexyl thioglycolate)
  • DMTTG
  • Fomrez UL 54
  • DL 181
  • MT 181
  • SC 688
  • NX 128
  • Methyltin mercaptide
  • UL 54
  • TM 604ER
  • DX 181
  • DX 980
  • DX 960-3
  • TM 504ER

Work with 2-Ethylhexyl 10-ethyl-4,4-dimethyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecanoate

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

Methyltin tris(2-ethylhexyl mercaptoacetate)57583-34-385 % 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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