(5-Chlorothiophen-2-YL)trimethylsilane , CAS No.23395-56-4

CAS: 23395-56-4 Cat. No.: C1023541 Molecular Weight: 190.76 PubChem CID: 2760833

Storage

Room temperature

Specifications

Storage

Room temperature

Names and Identifiers

• Canonical Smiles: C[Si](C)(C)C1=CC=C(S1)Cl
• IUPAC Name: (5-chlorothiophen-2-yl)-trimethylsilane
• InChIKey: COVFWQJNVZTDRL-UHFFFAOYSA-N
• INCHI: 1S/C7H11ClSSi/c1-10(2,3)7-5-4-6(8)9-7/h4-5H,1-3H3
• Isomeric SMILES: C[Si](C)(C)C1=CC=C(S1)Cl
• PubChem CID: 2760833
• Molecular Weight: 190.76

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Thiophenes
      • Subclass 2,5-disubstituted thiophenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Thiophenes
• Subclass: 2,5-disubstituted thiophenes
• Intermediate Tree Nodes: Not available
• Direct Parent: 2,5-disubstituted thiophenes
• Alternative Parents: Alkylarylsilanes Aryl chlorides Heteroaromatic compounds Organic metalloid salts Organochlorides Hydrocarbon derivatives Alkylsilanes
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,5-disubstituted thiophene - Alkylarylsilane - Aryl halide - Aryl chloride - Heteroaromatic compound - Organic metalloid salt - Hydrocarbon derivative - Organic salt - Organosilicon compound - Alkylsilane - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 2,5-disubstituted thiophenes. These are organic compounds containing a thiophene that is disubstituted at the C-2, and C5-positions.
• 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: 190.770 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 190.004 Da
• Monoisotopic Mass: 190.004 Da
• Topological Polar Surface Area: 28.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 121.000
• 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