4-(Tributylstannyl)-2-(trimethylsilyl)thiazole - ≥85% , CAS No.252562-80-4

CAS: 252562-80-4 Cat. No.: T1044601 Molecular Weight: 446.34 PubChem CID: 22316680

GRADE & PURITY ≥85%

Storage

Room temperature

Specifications

Specifications & Purity

≥85%

Storage

Room temperature

Purity

≥85%

Names and Identifiers

• Canonical Smiles: CCCC[Sn](CCCC)(CCCC)C1=CSC(=N1)[Si](C)(C)C
• IUPAC Name: trimethyl-(4-tributylstannyl-1,3-thiazol-2-yl)silane
• InChIKey: WNNGESKFUIMQQE-UHFFFAOYSA-N
• INCHI: 1S/C6H10NSSi.3C4H9.Sn/c1-9(2,3)6-7-4-5-8-6;3*1-3-4-2;/h5H,1-3H3;3*1,3-4H2,2H3
• Isomeric SMILES: CCCC[Sn](CCCC)(CCCC)C1=CSC(=N1)[Si](C)(C)C
• PubChem CID: 22316680
• Molecular Weight: 446.34

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Thiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Thiazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 2,4-disubstituted thiazoles
• Alternative Parents: Alkylarylsilanes Metal aryls Heteroaromatic compounds Trialkyltins Organic metalloid salts Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Alkylsilanes
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,4-disubstituted 1,3-thiazole - Alkylarylsilane - Metal aryl - Heteroaromatic compound - Trialkyltin - Azacycle - Organic metalloid salt - Organic nitrogen compound - Organotin compound - Organosilicon compound - Hydrocarbon derivative - Alkylsilane - Organonitrogen compound - Organometallic compound - Organic post-transition metal moeity - Organic metalloid moeity - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 2,4-disubstituted thiazoles. These are compounds containing a thiazole ring substituted at the positions 2 and 3.
• 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: 446.400 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 11
• Exact Mass: 447.144 Da
• Monoisotopic Mass: 447.144 Da
• Topological Polar Surface Area: 41.100 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 284.000
• 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