2-Trimethylsilyl-1,2,3-triazole , CAS No.13518-80-4

CAS: 13518-80-4 Cat. No.: T1066747 EC Number: 603-905-4 PubChem CID: 2786630

Storage

Room temperature

Specifications

Storage

Room temperature

Names and Identifiers

• Canonical Smiles: C[Si](C)(C)N1N=CC=N1
• IUPAC Name: trimethyl(triazol-2-yl)silane
• InChIKey: DSPOVSQQYMUIGB-UHFFFAOYSA-N
• INCHI: 1S/C5H11N3Si/c1-9(2,3)8-6-4-5-7-8/h4-5H,1-3H3
• Isomeric SMILES: C[Si](C)(C)N1N=CC=N1
• Alternate CAS: 13518-80-4
• PubChem CID: 2786630

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organometallic compounds
    • Class Organometalloid compounds
      • Subclass Organosilicon compounds

• Kingdom: Organic compounds
• Superclass: Organometallic compounds
• Class: Organometalloid compounds
• Subclass: Organosilicon compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkylarylsilanes
• Alternative Parents: Triazoles Trialkylheterosilanes Heteroaromatic compounds Organic metalloid salts N-silyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alkylarylsilane - Azole - 1,2,3-triazole - Heteroaromatic compound - Trialkylheterosilane - Azacycle - Organic metalloid salt - Organoheterocyclic compound - Organoheterosilane - N-silyl compound - Hydrocarbon derivative - Organonitrogen compound - Organic salt - Organic nitrogen compound - Organopnictogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alkylarylsilanes. These are organosilicon compounds with the general formula R[Si]R' (R = alkyl, R' = aryl).
• 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: 141.250 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 141.072 Da
• Monoisotopic Mass: 141.072 Da
• Topological Polar Surface Area: 30.700 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 92.900
• 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

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