2-Bromo-5-methylthiazole - ≥98%(GC) , CAS No.41731-23-1

CAS: 41731-23-1 Cat. No.: B152756 Formula: C₄H₄BrNS Peso molecolare: 178.05 Numero EC: 808-041-3

GRADE & PURITY ≥98%(GC)

Synonyms

A6866 | 2-bromo-5-methyl-1,3-thiazole | FJPZHYAYNAUKKA-UHFFFAOYSA-N | 2-bromo-5-methylthiazole, AldrichCPR | AC-25232 | FS-2634 | J-508403 | AB45716 | FT-0649577 | DTXSID40619852 | 2-bromo-5-methylthiazole | 2-Bromo-5-methyl-thiazole | MFCD08460610 | AM20

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinonimi

A6866 | 2-bromo-5-methyl-1,3-thiazole | FJPZHYAYNAUKKA-UHFFFAOYSA-N | 2-bromo-5-methylthiazole, AldrichCPR | AC-25232 | FS-2634 | J-508403 | AB45716 | FT-0649577 | DTXSID40619852 | 2-bromo-5-methylthiazole | 2-Bromo-5-methyl-thiazole | MFCD08460610 | AM20

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

Normal

Purezza

≥98%(GC)

Nomi e identificatori

Pubchem Sid

488199961

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488199961

Sorrisi canonici

CC1=CN=C(S1)Br

IUPAC Name

2-bromo-5-methyl-1,3-thiazole

InChIKey

FJPZHYAYNAUKKA-UHFFFAOYSA-N

INCHI

1S/C4H4BrNS/c1-3-2-6-4(5)7-3/h2H,1H3

Isomeri SMILES

CC1=CN=C(S1)Br

Peso molecolare

178.05

Reaxy-Rn

109575

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=109575&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 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 - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
• Descrizione: 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

Obiettivi associati (non umani)

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Slightly soluble in water.
• Sensibilità: air sensitive
• Indice di rifrazione: 1.58
• Punto di infiammabilità (°C): 72 °C
• Punto di ebollizione (°C): 84°C/12mmHg
• Peso molecolare: 178.050 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 176.925 Da
• Monoisotopic Mass: 176.925 Da
• Topological Polar Surface Area: 41.100 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 68.700
• 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

Domande frequenti

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

This product is supplied at ≥98% 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 under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 41731-23-1, the molecular formula is C4H4BrNS, and the molecular weight is 178.05 g/mol. InChIKey FJPZHYAYNAUKKA-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.