Ethyl 2-Bromothiazole-4-carboxylate - ≥95%(GC) , CAS No.100367-77-9

CAS: 100367-77-9 Cat. No.: E156176 Formule: C₆H₆BrNO₂S Poids moléculaire: 236.08 Numéro CE: 640-217-3

QUALITÉ & PURETÉ ≥95%(GC)

Synonyms

GF-0027 | MFCD03788564 | STL555794 | 3-[(4-methoxyphenyl)methylsulfanyl]-4H-1,2,4-triazole | EN300-116036 | Ethyl 2-bromothiazole-4-carboxylate | BBL101997 | 2-Bromo-thiazole-4-carboxylic acid ethyl ester | 2-Bromothiazole-4-carboxylic acid ethyl ester |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Spécifications

Synonymes

GF-0027 | MFCD03788564 | STL555794 | 3-[(4-methoxyphenyl)methylsulfanyl]-4H-1,2,4-triazole | EN300-116036 | Ethyl 2-bromothiazole-4-carboxylate | BBL101997 | 2-Bromo-thiazole-4-carboxylic acid ethyl ester | 2-Bromothiazole-4-carboxylic acid ethyl ester |

Spécifications et pureté

≥95%(GC)

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥95%(GC)

Noms et identifiants

Pubchem Sid

504758575

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504758575

Sourires canoniques

CCOC(=O)C1=CSC(=N1)Br

IUPAC Name

ethyl 2-bromo-1,3-thiazole-4-carboxylate

InChIKey

CNHISCQPKKGDPO-UHFFFAOYSA-N

INCHI

1S/C6H6BrNO2S/c1-2-10-5(9)4-3-11-6(7)8-4/h3H,2H2,1H3

Isomères SMILES

CCOC(=O)C1=CSC(=N1)Br

WGK Allemagne

2

Poids moléculaire

236.08

Reaxy-Rn

127473

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=127473&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: Thiazolecarboxylic acids and derivatives
• Alternative Parents: 2,4-disubstituted thiazoles Aryl bromides Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Thiazolecarboxylic acid or derivatives - 2,4-disubstituted 1,3-thiazole - Aryl bromide - Aryl halide - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as thiazolecarboxylic acids and derivatives. These are heterocyclic compounds containing a thiazole ring which bears a carboxylic acid group (or a derivative thereof).
• 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

Cibles associées (non humaines)

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in Methanol
• Sensibilité: Light Sensitive,Moisture Sensitive,Heat Sensitive
• Point d'éclair (°F): >230 °F
• Point d'éclair (°C): >110 °C
• Point d'ébullition (°C): 154 °C/13 mmHg
• Point de fusion (°C): 68.0 to 72.0 °C
• Poids moléculaire: 236.090 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 234.93 Da
• Monoisotopic Mass: 234.93 Da
• Topological Polar Surface Area: 67.400 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 156.000
• 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