di-n-butylbis(dodecylthio)tin - ≥95% , CAS No.1185-81-5

CAS: 1185-81-5 Cat. No.: D770977 Molecular Weight: 635.73 EC Number: 214-688-7 PubChem CID: 9561614

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CCCCCCCCCCCCS[Sn](CCCC)(CCCC)SCCCCCCCCCCCC
• IUPAC Name: dibutyl-bis(dodecylsulfanyl)stannane
• InChIKey: FFGHLLOLFQHABK-UHFFFAOYSA-L
• INCHI: 1S/2C12H26S.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13;2*1-3-4-2;/h2*13H,2-12H2,1H3;2*1,3-4H2,2H3;/q;;;;+2/p-2
• Isomeric SMILES: CCCCCCCCCCCCS[Sn](CCCC)(CCCC)SCCCCCCCCCCCC
• PubChem CID: 9561614
• UN Number: 2788
• Packing Group: I
• Molecular Weight: 635.73

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organometallic compounds
    • Class Organo-post-transition metal compounds
      • Subclass Organotin compounds
        • Level5 Dialkyltins
          • Level6 Dialkyltin salts

• Kingdom: Organic compounds
• Superclass: Organometallic compounds
• Class: Organo-post-transition metal compounds
• Subclass: Organotin compounds
• Intermediate Tree Nodes: Dialkyltins
• Direct Parent: Dialkyltin salts
• Alternative Parents: Sulfenyl compounds Organic tin salts Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkyltin salt - Organic metal salt - Sulfenyl compound - Hydrocarbon derivative - Organic tin salt - Organosulfur compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as dialkyltin salts. These are salts of dialkyltin compounds.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 635.700 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 30
• Exact Mass: 636.378 Da
• Monoisotopic Mass: 636.378 Da
• Topological Polar Surface Area: 50.600 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 352.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

XLogP3