(4-bromophenyl)(phenyl)sulfane - ≥98%(HPLC) , CAS No.65662-88-6

CAS: 65662-88-6 Cat. No.: B290636 Formule: C12H9BrO2S Numéro CE: 659-370-2

GRADE & PURITY ≥98%(HPLC)

Synonyms

65662-88-6|4-Bromo diphenyl sulfide|1-bromo-4-phenylsulfanylbenzene|(4-BROMOPHENYL)(PHENYL)SULFANE|1-bromo-4-phenylsulfanyl-benzene|1-bromo-4-(phenylsulfanyl)benzene|NSC220074|Zinc(ii)p-toluenesulfonate|phenyl p-bromophenyl sulphide|1-bromo-4-(phenylthio)

Storage

Room temperature

Specifications

Synonymes

65662-88-6 | 4-Bromo diphenyl sulfide | 1-bromo-4-phenylsulfanylbenzene | (4-BROMOPHENYL)(PHENYL)SULFANE | 1-bromo-4-phenylsulfanyl-benzene | 1-bromo-4-(phenylsulfanyl)benzene | NSC220074 | Zinc(ii)p-toluenesulfonate | phenyl p-bromophenyl sulphide | 1-bromo-4-(phenylthio)

Spécifications et pureté

≥98%(HPLC)

Conditions de stockage de stockage

Room temperature

Pureté

≥98%(HPLC)

Noms et identifiants

• Sourires canoniques: C1=CC=C(C=C1)SC2=CC=C(C=C2)Br
• IUPAC Name: 1-bromo-4-phenylsulfanylbenzene
• InChIKey: GLXVKUVWFRUQHW-UHFFFAOYSA-N
• INCHI: 1S/C12H9BrS/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H
• Isomères SMILES: C1=CC=C(C=C1)SC2=CC=C(C=C2)Br
• Reaxy-Rn: 2443907
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2443907&ln=

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: Diarylthioethers
• Alternative Parents: Thiophenol ethers Bromobenzenes Aryl bromides Sulfenyl compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diarylthioether - Thiophenol ether - Halobenzene - Bromobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Sulfenyl compound - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl groups.
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 265.170 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 263.961 Da
• Monoisotopic Mass: 263.961 Da
• Topological Polar Surface Area: 25.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 158.000
• 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

Foire aux questions

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 65662-88-6, the molecular formula is C12H9BrO2S. InChIKey GLXVKUVWFRUQHW-UHFFFAOYSA-N.

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.