2,5-Dibromothiazole - ≥97%(GC) , CAS No.4175-78-4

CAS: 4175-78-4 Cat. No.: D135835 Fórmula: C₃HBr₂NS Peso molecular: 242.92 Beilstein Registry Number: 27(4)962 Número CE: 628-983-7

GRADE & PURITY ≥97%(GC)

Synonyms

BCP34423 | 2,5-Dibromo-1,3-thiazole;Thiazole, 2,5-dibromo- | A21940 | DTXSID40310094 | BBL103343 | 2,5-Dibromothiazole | 2,5-Dibromo-thiazole | Thiazole,5-dibromo- | NSC222407 | NSC-222407 | W-200363 | AC-7553 | MFCD00016891 | SY005103 | STL557153 | 2,5-D

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

BCP34423 | 2,5-Dibromo-1,3-thiazole;Thiazole, 2,5-dibromo- | A21940 | DTXSID40310094 | BBL103343 | 2,5-Dibromothiazole | 2,5-Dibromo-thiazole | Thiazole,5-dibromo- | NSC222407 | NSC-222407 | W-200363 | AC-7553 | MFCD00016891 | SY005103 | STL557153 | 2,5-D

Especificações e pureza

≥97%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%(GC)

Nomes e identificadores

Pubchem Sid

488189430

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488189430

Sorrisos canónicos

C1=C(SC(=N1)Br)Br

IUPAC Name

2,5-dibromo-1,3-thiazole

InChIKey

XIBIQFJKUZZLLX-UHFFFAOYSA-N

INCHI

1S/C3HBr2NS/c4-2-1-6-3(5)7-2/h1H

SMILES isoméricas

C1=C(SC(=N1)Br)Br

WGK Alemanha

3

Peso molecular

242.92

Beilstein

27(4)962

Reaxy-Rn

112071

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=112071&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azoles
      • Subclass Thiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azoles
• Subclass: Thiazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 2,5-disubstituted thiazoles
• Alternative Parents: Aryl bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,5-disubstituted 1,3-thiazole - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as 2,5-disubstituted thiazoles. These are compounds containing a thiazole ring substituted at positions 2 and 5 only.
• 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

Alvos associados (não humanos)

ddlB D-alanylalanine synthetase (66 Activities)

Discover Target: ddlB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

murA UDP-N-acetylglucosamine 1-carboxyvinyltransferase (389 Activities)

Discover Target: murA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in Methanol
• Ponto de inflamação (°F): 230 °F
• Ponto de inflamação (°C): 110 °C
• Ponto de fusão (°C): 48 °C
• Peso molecular: 242.920 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 242.818 Da
• Monoisotopic Mass: 240.82 Da
• Topological Polar Surface Area: 41.100 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 70.000
• 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

Perguntas frequentes

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

This product is supplied at ≥97% purity, determined by gas chromatography (GC). 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 4175-78-4, the molecular formula is C3HBr2NS, and the molecular weight is 242.92 g/mol. InChIKey XIBIQFJKUZZLLX-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.