(Thiene-2,5-diyl)bis(triethoxysilane) - ≥95% , CAS No.40190-22-5

CAS: 40190-22-5 Cat. No.: T1050715 Molecular Weight: 408.700

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CCO[Si](C1=CC=C(S1)[Si](OCC)(OCC)OCC)(OCC)OCC
• IUPAC Name: triethoxy-(5-triethoxysilylthiophen-2-yl)silane
• InChIKey: AWBGMFANSAVZPM-UHFFFAOYSA-N
• INCHI: 1S/C16H32O6SSi2/c1-7-17-24(18-8-2,19-9-3)15-13-14-16(23-15)25(20-10-4,21-11-5)22-12-6/h13-14H,7-12H2,1-6H3
• Molecular Weight: 408.700

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organometallic compounds
    • Class Organometalloid compounds
      • Subclass Organosilicon compounds
        • Level5 Alkoxysilanes
          • Level6 Trialkoxysilanes

• Kingdom: Organic compounds
• Superclass: Organometallic compounds
• Class: Organometalloid compounds
• Subclass: Organosilicon compounds
• Intermediate Tree Nodes: Alkoxysilanes
• Direct Parent: Trialkoxysilanes
• Alternative Parents: 2,5-disubstituted thiophenes Heteroaromatic compounds Silyl ethers Organoheterosilanes Organic metalloid salts Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Trialkoxysilane - 2,5-disubstituted thiophene - Heteroaromatic compound - Thiophene - Silyl ether - Organoheterosilane - Organic metalloid salt - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as trialkoxysilanes. These are organosilicon compounds with the general formula RO[Si](R')(OR'')OR''' (R-R''' = aliphatic organyl group).
• 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: 408.700 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 14
• Exact Mass: 408.146 Da
• Monoisotopic Mass: 408.146 Da
• Topological Polar Surface Area: 83.600 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 297.000
• 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