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2-(tert-Butyl)isothiazol-3(2H)-one 1,1-dioxide - 97%, high purity , CAS No.119639-24-6

COA

Grade & Purity:

≥97%

Cas Number: 119639-24-6
Molecular Weight: 189.23
EC Number: ‘855-511-9
PubChem CID: 11116816

In stock

Item Number

T586552

Grouped product items
SKU	Size	Availability	Price
T586552-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$45.90
T586552-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$79.90
T586552-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$199.90

View related series

Isothiazole (6)

Basic Description

Synonyms	2-tert-butylisothiazol-3(2H)-one 1,1-dioxide \| 2-tert-Butyl-2,3-dihydro-1lambda6,2-thiazole-1,1,3-trione \| 2-(tert-Butyl)isothiazol-3(2H)-one 1,1-dioxide \| BS-50702 \| ACMFJQJWCFZWEU-UHFFFAOYSA-N \| 2-tert-butyl-1,1-dioxo-1,2-thiazol-3-one \| F76270 \| EN300-
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C,Desiccated
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azolines
    - Subclass Thiazolines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azolines
Subclass	Thiazolines
Intermediate Tree Nodes	Not available
Direct Parent	Thiazolines
Alternative Parents	Organosulfonic acids and derivatives Acrylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Acrylic acid or derivatives - Ortho-thiazoline - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as thiazolines. These are heterocyclic compounds containing a five-member unsaturated aliphatic ring with one nitrogen atom, one sulfur atom, three carbon atoms.
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	2-tert-butyl-1,1-dioxo-1,2-thiazol-3-one
INCHI	InChI=1S/C7H11NO3S/c1-7(2,3)8-6(9)4-5-12(8,10)11/h4-5H,1-3H3
InChIKey	ACMFJQJWCFZWEU-UHFFFAOYSA-N
Smiles	CC(C)(C)N1C(=O)C=CS1(=O)=O
Isomeric SMILES	CC(C)(C)N1C(=O)C=CS1(=O)=O
PubChem CID	11116816
Molecular Weight	189.23

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	189.230 g/mol
XLogP3	0.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	189.046 Da
Monoisotopic Mass	189.046 Da
Topological Polar Surface Area	62.800 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	329.000
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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