Product Name

  • Name

    diisooctyl 3,3'-[(didodecylstannylene)bis(thio)]dipropionate

  • EINECS 281-020-9
  • CAS No. 83846-45-1
  • Density
  • Solubility
  • Melting Point
  • Formula C46H92O4S2Sn
  • Boiling Point
  • Molecular Weight 892.06
  • Flash Point
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 83846-45-1 (diisooctyl 3,3'-[(didodecylstannylene)bis(thio)]dipropionate)
  • Hazard Symbols
  • Synonyms Diisooctyl 3,3'-((didodecylstannylene)bis(thio))dipropionate;6-Methylheptyl 3-[didodecyl-[3-(6-methylheptoxy)-3-oxopropyl]sulfanylstannyl]sulfanylpropanoate;
  • PSA 52.60000
  • LogP 14.46800

Propanoicacid, 3,3'-[(didodecylstannylene)bis(thio)]bis-, diisooctyl ester (9CI) Specification

The Propanoicacid, 3,3'-[(didodecylstannylene)bis(thio)]bis-, diisooctyl ester (9CI), with the CAS registry number 83846-45-1, is also known as Diisooctyl 3,3'-((didodecylstannylene)bis(thio))dipropionate. Its EINECS number is 281-020-9. This chemical's molecular formula is C46H92O4S2Sn and molecular weight is 892.06. What's more, its IUPAC name is 6-methylheptyl 3-[didodecyl-[3-(6-methylheptoxy)-3-oxopropyl]sulfanylstannyl]sulfanylpropanoate.

Computational chemistry data of Propanoicacid, 3,3'-[(didodecylstannylene)bis(thio)]bis-, diisooctyl ester (9CI) are: (1)H-Bond Donor: 0; (2)H-Bond Acceptor: 4; (3)Rotatable Bond Count: 44; (4)Exact Mass: 892.545899; (5)MonoIsotopic Mass: 892.545899; (6)Topological Polar Surface Area: 103; (7)Heavy Atom Count: 53; (8)Formal Charge: 0; (9)Complexity: 730; (10)Isotope Atom Count: 0; (11)Covalently-Bonded Unit Count: 1.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCC[Sn](CCCCCCCCCCCC)(SCCC(=O)OCCCCCC(C)C)SCCC(=O)OCCCCCC(C)C
(2)InChI: InChI=1S/2C12H25.2C11H22O2S.Sn/c2*1-3-5-7-9-11-12-10-8-6-4-2;2*1-10(2)6-4-3-5-8-13-11(12)7-9-14;/h2*1,3-12H2,2H3;2*10,14H,3-9H2,1-2H3;/q;;;;+2/p-2
(3)InChIKey: PZFKTBOCRDJZHY-UHFFFAOYSA-L

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