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5-bromo-6-fluoro-2-methyl-1,3-benzothiazole - 97%, high purity , CAS No.1427433-44-0

COA

Grade & Purity:

≥97%

Cas Number: 1427433-44-0
Molecular Weight: 246.1
PubChem CID: 130063300

In stock

Item Number

B629141

Grouped product items
SKU	Size	Availability	Price
B629141-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$199.90
B629141-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$641.90
B629141-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,281.90

Basic Description

Synonyms	5-bromo-6-fluoro-2-methyl-1,3-benzothiazole \| 1427433-44-0 \| 5-Bromo-6-fluoro-2-methylbenzo[d]thiazole \| SCHEMBL21604553 \| MFCD23705821 \| PB40631 \| BS-43567 \| D78958
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 Thiazolines Thiazoles Heteroaromatic compounds Imidothioesters Vinyl fluorides Vinyl bromides Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Imidothioic acids and derivatives Fluoroalkenes Bromoalkenes Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	1,3-benzothiazole - Benzenoid - Heteroaromatic compound - Meta-thiazoline - Thiazole - Azole - Imidothioester - Azacycle - Fluoroalkene - Bromoalkene - Haloalkene - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Vinyl halide - Vinyl fluoride - Vinyl bromide - Imidothioic acid or derivatives - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen 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	5-bromo-6-fluoro-2-methyl-1,3-benzothiazole
INCHI	InChI=1S/C8H5BrFNS/c1-4-11-7-2-5(9)6(10)3-8(7)12-4/h2-3H,1H3
InChIKey	YXSZLMCYTFFBNF-UHFFFAOYSA-N
Smiles	CC1=NC2=CC(=C(C=C2S1)F)Br
PubChem CID	130063300
Molecular Weight	246.1

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	246.100 g/mol
XLogP3	3.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	244.931 Da
Monoisotopic Mass	244.931 Da
Topological Polar Surface Area	41.100 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	180.000
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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