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tert-butyl N-(4-bromo-1,3-benzothiazol-2-yl)carbamate - 97%, high purity , CAS No.1823565-33-8

COA

Grade & Purity:

≥97%

Cas Number: 1823565-33-8
Molecular Weight: 329.21
PubChem CID: 130141167

In stock

Item Number

T630762

Grouped product items
SKU	Size	Availability	Price
T630762-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$159.90
T630762-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$484.90
T630762-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$866.90

Basic Description

Synonyms	1823565-33-8 \| (4-Bromo-benzothiazol-2-yl)-carbamic acid tert-butyl ester \| tert-butyl N-(4-bromo-1,3-benzothiazol-2-yl)carbamate \| tert-butyl (4-bromobenzo[d]thiazol-2-yl)carbamate \| SCHEMBL23974266 \| MFCD28154577 \| AT22871 \| BS-44595 \| CS-0162271 \| EN30
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 Thiazoles Heteroaromatic compounds Carbamate esters Organic carbonic acids and derivatives Vinyl bromides Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Carboximidamides Bromoalkenes Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	1,3-benzothiazole - Benzenoid - Heteroaromatic compound - Carbamic acid ester - Thiazole - Azole - Carbonic acid derivative - Azacycle - Bromoalkene - Haloalkene - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carboximidamide - Vinyl halide - Vinyl bromide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - 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	tert-butyl N-(4-bromo-1,3-benzothiazol-2-yl)carbamate
INCHI	InChI=1S/C12H13BrN2O2S/c1-12(2,3)17-11(16)15-10-14-9-7(13)5-4-6-8(9)18-10/h4-6H,1-3H3,(H,14,15,16)
InChIKey	VSHNMMQBTXSHJO-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)NC1=NC2=C(S1)C=CC=C2Br
PubChem CID	130141167
Molecular Weight	329.21

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	329.210 g/mol
XLogP3	4.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	327.988 Da
Monoisotopic Mass	327.988 Da
Topological Polar Surface Area	79.500 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	322.000
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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