Potassium 4-methylthiophen-2-yltrifluoroborate - ≥95% , CAS No.1111732-75-2

CAS: 1111732-75-2 Cat. No.: P971756 Molecular Weight: 204.06 PubChem CID: 25212871

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Purity

≥95%

Names and Identifiers

• Canonical Smiles: [B-](C1=CC(=CS1)C)(F)(F)F.[K+]
• IUPAC Name: potassium;trifluoro-(4-methylthiophen-2-yl)boranuide
• InChIKey: BJFCCAQWDUGVPF-UHFFFAOYSA-N
• INCHI: 1S/C5H5BF3S.K/c1-4-2-5(10-3-4)6(7,8)9;/h2-3H,1H3;/q-1;+1
• Isomeric SMILES: [B-](C1=CC(=CS1)C)(F)(F)F.[K+]
• PubChem CID: 25212871
• Molecular Weight: 204.06

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Heteroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Heteroaromatic compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Heteroaromatic compounds
• Alternative Parents: Thiophenes Boronic acid derivatives Organic metalloid salts Organic metal halides Organometalloid compounds Organic potassium salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Thiophene - Boronic acid derivative - Organic metal halide - Organic alkali metal salt - Organic metalloid salt - Hydrocarbon derivative - Organic potassium salt - Organic salt - Organic metalloid moeity - Organic cation - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as heteroaromatic compounds. These are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom.
• 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: 204.070 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 203.979 Da
• Monoisotopic Mass: 203.979 Da
• Topological Polar Surface Area: 28.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 129.000
• 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: 2

XLogP3