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8-Oxa-3,5-dithia-4-stannatetradecanoicacid, 10-ethyl-4-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]-4-methyl-7-oxo-,2-ethylhexyl ester(CAS No. 57583-34-3)

8-Oxa-3,5-dithia-4-stannatetradecanoicacid, 10-ethyl-4-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]-4-methyl-7-oxo-,2-ethylhexyl ester C31H60O6S3Sn (cas 57583-34-3) Molecular Structure

57583-34-3 Structure

Identification and Related Records

【Name】
8-Oxa-3,5-dithia-4-stannatetradecanoicacid, 10-ethyl-4-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]-4-methyl-7-oxo-,2-ethylhexyl ester
【Iupac name】
2-ethylhexyl
2-[bis[[2-(2-ethylhexoxy)-2-oxoethyl]sulfanyl]-methylstannyl]
sulfanylacetate
【CAS Registry number】
57583-34-3
【Synonyms】
Methyltintris(2-ethylhexyl mercaptoacetate)
Methyltin tris(2-ethylhexyl thioglycolate)
Monomethyltin tris(2-ethylhexyl mercaptoacetate)
【EINECS(EC#)】
260-828-5
【Molecular Formula】
C31H60O6S3Sn (Products with the same molecular formula)
【Molecular Weight】
743.78
【Inchi】
InChI=1/3C10H20O2S.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/r3C10H20O2S.CH3Sn/c3*1-3-5-6-9(4-2)7-12-10(11)8-13;1-2/h3*9,13H,3-8H2,1-2H3;1H3/q;;;+3/p-3
【Canonical SMILES】
CCCCC(CC)COC(=O)CS[Sn](C)(SCC(=O)OCC(CC)CCCC)SCC(=O)OCC(CC)CCCC
【MOL File】
57583-34-3.mol

Chemical and Physical Properties

【Density】
g/cm3
【Boiling Point】
270.9°Cat760mmHg
【Flash Point】
137.4°C
【Computed Properties】
Molecular Weight:743.7095 [g/mol]
Molecular Formula:C31H60O6S3Sn
H-Bond Donor:0
H-Bond Acceptor:9
Rotatable Bond Count:30
Exact Mass:744.257398
MonoIsotopic Mass:744.257398
Topological Polar Surface Area:155
Heavy Atom Count:41
Formal Charge:0
Complexity:608
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:3
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1

Safety and Handling

【Hazard Codes】
Moderately toxic by ingestion. TWA 0.1 mg(Sn)/m3; STEL 0.2 mg(Sn)/m3 (skin).
【Safety】
Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of SOx. See also TIN COMPOUNDS and CARBONYLS.Analytical Methods:   For occupational chemical analysis use NIOSH: Organotin Compounds 5504.

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