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Methyl 2-bromo-5-ethylthiazole-4-carboxylate - 97%, high purity , CAS No.81569-46-2

COA

Grade & Purity:

≥97%

Cas Number: 81569-46-2
Molecular Weight: 250.1
PubChem CID: 13015592

In stock

Item Number

M186743

Grouped product items
SKU	Size	Availability	Price	Qty
M186743-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$45.90
M186743-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$204.90

Discover Methyl 2-bromo-5-ethylthiazole-4-carboxylate by Aladdin Scientific in 97% for only $45.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	Methyl 2-bromo-5-ethylthiazole-4-carboxylate \| 81569-46-2 \| Methyl 2-bromo-5-ethyl-1,3-thiazole-4-carboxylate \| MFCD11706992 \| Methyl2-bromo-5-ethylthiazole-4-carboxylate \| SCHEMBL1548833 \| DTXSID00515260 \| AMY32172 \| AKOS015842939 \| PS-5021 \| SY034813 \| CS-0061445 \| FT-0685639 \|
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Thiazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Thiazoles
Intermediate Tree Nodes	Not available
Direct Parent	Thiazolecarboxylic acids and derivatives
Alternative Parents	2,4,5-trisubstituted thiazoles Aryl bromides Methyl esters Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	2,4,5-trisubstituted 1,3-thiazole - Thiazolecarboxylic acid or derivatives - Aryl bromide - Aryl halide - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organooxygen 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
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

Names and Identifiers

IUPAC Name	methyl 2-bromo-5-ethyl-1,3-thiazole-4-carboxylate
INCHI	InChI=1S/C7H8BrNO2S/c1-3-4-5(6(10)11-2)9-7(8)12-4/h3H2,1-2H3
InChIKey	YVZQQKSGEFCXLI-UHFFFAOYSA-N
Smiles	CCC1=C(N=C(S1)Br)C(=O)OC
Isomeric SMILES	CCC1=C(N=C(S1)Br)C(=O)OC
Molecular Weight	250.1
Reaxy-Rn	5927815
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5927815&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	250.120 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	248.946 Da
Monoisotopic Mass	248.946 Da
Topological Polar Surface Area	67.400 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	179.000
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

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