N-(2,5-Dibromofenil)benzotioamida - ≥97% , CAS No.944719-96-4

CAS: 944719-96-4 Cat. No.: N195995 Fórmula: C₁₃H₉Br₂NS Peso molecular: 371.1 PubChem CID: 16743250

GRADE & PURITY ≥97%

Synonyms

N-(2,5-Dibromophenyl)benzothioamide|944719-96-4|N-(2,5-dibromophenyl)benzenecarbothioamide|DTXSID40587749|AKOS022175566|DS-3067|A859409

Storage

Temperatura ambiente

Shipped In

Normal

Specifications

Sinónimos

N-(2,5-Dibromophenyl)benzothioamide | 944719-96-4 | N-(2,5-dibromophenyl)benzenecarbothioamide | DTXSID40587749 | AKOS022175566 | DS-3067 | A859409

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Temperatura ambiente

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C=C1)C(=S)NC2=C(C=CC(=C2)Br)Br
• IUPAC Name: N-(2,5-dibromophenyl)benzenecarbothioamide
• InChIKey: AXZADIUKALWURV-UHFFFAOYSA-N
• INCHI: 1S/C13H9Br2NS/c14-10-6-7-11(15)12(8-10)16-13(17)9-4-2-1-3-5-9/h1-8H,(H,16,17)
• Isómeros SMILES: C1=CC=C(C=C1)C(=S)NC2=C(C=CC(=C2)Br)Br
• PubChem CID: 16743250
• Peso molecular: 371.1

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Bromobenzenes
• Alternative Parents: Aryl bromides Thioamides Thiocarboxylic acid amides Thiocarbonyl compounds Organopnictogen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Bromobenzene - Aryl halide - Aryl bromide - Thioamide - Thiocarboxylic acid amide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Thiocarbonyl group - Organosulfur compound - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as bromobenzenes. These are organic compounds containing a bromine atom attached to a benzene ring.
• 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

Propiedades químicas y físicas

• Peso molecular: 371.090 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 370.88 Da
• Monoisotopic Mass: 368.882 Da
• Topological Polar Surface Area: 44.100 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 266.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 944719-96-4, the molecular formula is C13H9Br2NS, and the molecular weight is 371.1 g/mol. InChIKey AXZADIUKALWURV-UHFFFAOYSA-N.

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.