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methyl 2-chloro-1,3-benzothiazole-5-carboxylate - 97%, high purity , CAS No.90225-03-9

COA

Grade & Purity:

≥97%

Cas Number: 90225-03-9
Molecular Weight: 227.67
EC Number: 863-415-3
MDL number: MFCD12827960
PubChem CID: 66912148

In stock

Item Number

M635042

Grouped product items
SKU	Size	Availability	Price
M635042-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$299.90
M635042-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,325.90
M635042-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,650.90

Basic Description

Synonyms	CS-0236309 \| BYLOHEPCHOXXGW-UHFFFAOYSA-N \| AB66366 \| EN300-1702791 \| METHYL 2-CHLOROBENZO[D]THIAZOLE-5-CARBOXYLATE \| SCHEMBL1121389 \| E88329 \| METHYL 2-CHLORO-1,3-BENZOTHIAZOLE-5-CARBOXYLATE \| PS-17858 \| 2-CHLORO-BENZOTHIAZOLE-5-CARBOXYLIC ACID METHYL EST
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzothiazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzothiazoles
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzothiazoles
Alternative Parents	Benzenoids Aryl chlorides Thiazoles Methyl esters Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	1,3-benzothiazole - Aryl chloride - Aryl halide - Benzenoid - Azole - Heteroaromatic compound - Methyl ester - Thiazole - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).
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-chloro-1,3-benzothiazole-5-carboxylate
INCHI	InChI=1S/C9H6ClNO2S/c1-13-8(12)5-2-3-7-6(4-5)11-9(10)14-7/h2-4H,1H3
InChIKey	BYLOHEPCHOXXGW-UHFFFAOYSA-N
Smiles	COC(=O)C1=CC2=C(C=C1)SC(=N2)Cl
Isomeric SMILES	COC(=O)C1=CC2=C(C=C1)SC(=N2)Cl
Alternate CAS	90225-03-9
PubChem CID	66912148
Molecular Weight	227.67

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	227.670 g/mol
XLogP3	3.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	226.981 Da
Monoisotopic Mass	226.981 Da
Topological Polar Surface Area	67.400 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	239.000
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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