2-Bromo-4-hydroxymethylthiazole - ≥97% , CAS No.5198-86-7

CAS: 5198-86-7 Cat. No.: B170760 Fórmula: C₄H₄BrNOS Peso molecular: 194.05 Número EC: 672-919-0

GRADE & PURITY ≥97%

Synonyms

FT-0602103 | DTXSID40376812 | AKOS006346490 | 2-Bromo-4-(hydroxymethyl)-1,3-thiazole | 2-bromo-4-(hydroxymethyl)thiazole | 2-Bromothiazole-4-methanol | A828875 | SCHEMBL285706 | SY060378 | 2-Bromo-4-hydroxymethylthiazole | AM20100279 | (2-bromothiazol-4-y

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

FT-0602103 | DTXSID40376812 | AKOS006346490 | 2-Bromo-4-(hydroxymethyl)-1,3-thiazole | 2-bromo-4-(hydroxymethyl)thiazole | 2-Bromothiazole-4-methanol | A828875 | SCHEMBL285706 | SY060378 | 2-Bromo-4-hydroxymethylthiazole | AM20100279 | (2-bromothiazol-4-y

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

Pubchem Sid

488193345

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488193345

Sonrisas canónicas

C1=C(N=C(S1)Br)CO

IUPAC Name

(2-bromo-1,3-thiazol-4-yl)methanol

InChIKey

FRPHIGOLOLSXAI-UHFFFAOYSA-N

INCHI

1S/C4H4BrNOS/c5-4-6-3(1-7)2-8-4/h2,7H,1H2

Isómeros SMILES

C1=C(N=C(S1)Br)CO

Peso molecular

194.05

Reaxy-Rn

1099720

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1099720&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Thiazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 2,4-disubstituted thiazoles
• Alternative Parents: Aryl bromides Heteroaromatic compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,4-disubstituted 1,3-thiazole - Aryl bromide - Aryl halide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Aromatic alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 2,4-disubstituted thiazoles. These are compounds containing a thiazole ring substituted at the positions 2 and 3.
• 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: 194.050 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 192.92 Da
• Monoisotopic Mass: 192.92 Da
• Topological Polar Surface Area: 61.400 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 82.400
• 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 5198-86-7, the molecular formula is C4H4BrNOS, and the molecular weight is 194.05 g/mol. InChIKey FRPHIGOLOLSXAI-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.