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6-Acetyl-2(3H)-benzothiazolone - 97%, high purity , CAS No.133044-44-7

COA

Grade & Purity:

≥97%

Cas Number: 133044-44-7
Molecular Weight: 193.22
MDL number: MFCD02660572
PubChem CID: 689053

In stock

Item Number

A124651

Grouped product items
SKU	Size	Availability	Price	Qty
A124651-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$25.90
A124651-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$114.90

Discover 6-Acetyl-2(3H)-benzothiazolone by Aladdin Scientific in 97% for only $25.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	MFCD02660572 \| FT-0688537 \| UFRAIEFXNRTICG-UHFFFAOYSA-N \| 2(3H)-Benzothiazolone,6-acetyl-(9CI) \| 6-Acetyl-2(3H)-benzothiazolone \| SCHEMBL5727371 \| 2(3H)-Benzothiazolone, 6-acetyl- \| 6-Acetyl-2(3H)-benzothiazolone, 97% \| 6-Acetyl-1,3-benzothiazole-2(3)-one
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	Acetophenones Aryl alkyl ketones Thiazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Acetophenone - 1,3-benzothiazole - Aryl ketone - Aryl alkyl ketone - Benzenoid - Azole - Thiazole - Heteroaromatic compound - Ketone - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxygen 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	6-acetyl-3H-1,3-benzothiazol-2-one
INCHI	InChI=1S/C9H7NO2S/c1-5(11)6-2-3-7-8(4-6)13-9(12)10-7/h2-4H,1H3,(H,10,12)
InChIKey	UFRAIEFXNRTICG-UHFFFAOYSA-N
Smiles	CC(=O)C1=CC2=C(C=C1)NC(=O)S2
Isomeric SMILES	CC(=O)C1=CC2=C(C=C1)NC(=O)S2
WGK Germany	3
Molecular Weight	193.22
Reaxy-Rn	6801317
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6801317&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	193.220 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	193.02 Da
Monoisotopic Mass	193.02 Da
Topological Polar Surface Area	71.500 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	254.000
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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