3-Bromo-2-fluorothioanisole - ≥98% , CAS No.871353-01-4

CAS: 871353-01-4 Cat. No.: B1348743 Formula: C₇H₆BrFS Peso molecolare: 221.09 Numero EC: 882-079-9 PubChem CID: 57448064

QUALITÀ & PUREZZA ≥98%

Storage

Room temperature

Shipped In

Normal

Specifiche

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Sorrisi canonici

CSC1=C(C(=CC=C1)Br)F

IUPAC Name

1-bromo-2-fluoro-3-methylsulfanylbenzene

InChIKey

RVQLFQFWADGUTI-UHFFFAOYSA-N

INCHI

1S/C7H6BrFS/c1-10-6-4-2-3-5(8)7(6)9/h2-4H,1H3

Isomeri SMILES

CSC1=C(C(=CC=C1)Br)F

PubChem CID

57448064

Peso molecolare

221.09

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Classe Thioethers
      • Subclass Aryl thioethers

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Classe: Thioethers
• Subclass: Aryl thioethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Aryl thioethers
• Alternative Parents: Thiophenol ethers Fluorobenzenes Bromobenzenes Alkylarylthioethers Aryl fluorides Aryl bromides Sulfenyl compounds Organofluorides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aryl thioether - Thiophenol ether - Alkylarylthioether - Bromobenzene - Halobenzene - Fluorobenzene - Aryl bromide - Benzenoid - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Sulfenyl compound - Organobromide - Organofluoride - Hydrocarbon derivative - Organohalogen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl 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

Proprietà chimiche e fisiche

• Peso molecolare: 221.090 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 219.936 Da
• Monoisotopic Mass: 219.936 Da
• Topological Polar Surface Area: 25.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 110.000
• 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