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1-Oxa-2-oxo-3-thiaindolizinium Chloride [for Source of Alkyl Radical] - 98%, high purity , CAS No.89025-51-4

COA

Grade & Purity:

≥98%

Cas Number: 89025-51-4
Molecular Weight: 189.61
MDL number: MFCD00134271
PubChem CID: 11106137

In stock

Item Number

O404815

Grouped product items
SKU	Size	Availability	Price
O404815-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$49.90
O404815-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$70.90
O404815-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$315.90

View related series

Halogen free heterocyclic block (1207) Pyridines (1259)

Basic Description

Synonyms	O0270 \| 2-Oxo[1.4.2]oxathiazolo[2,3-a]pyridinium Chloride \| 1-OXA-2-OXO-3-THIAINDOLIZINIUMCHLORIDE \| 1-Oxa-2-oxo-3-thiaindolizinium chloride \| AS-81242 \| AKOS015898114 \| MFCD01457264 \| 2-Oxo-[1,4,2]oxathiazolo[2,3-a]pyridin-4-ium chloride \| starbld0009737
Specifications & Purity	≥98%
Storage Temp	Argon charged

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyridines and derivatives
    - Subclass Pyridinium derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	Pyridinium derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Pyridinium derivatives
Alternative Parents	Heteroaromatic compounds Azoles Organic thiocarbonic acid derivatives Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Organic chloride salts Hydrocarbon derivatives Organic cations
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Pyridinium - Azole - Heteroaromatic compound - Thiocarbonic acid derivative - Azacycle - Oxacycle - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organic chloride salt - Organic salt - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic cation - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as pyridinium derivatives. These are compounds containing a pyridinium ring, which is the cationic form of pyridine.
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	[1,4,2]oxathiazolo[2,3-a]pyridin-4-ium-2-one;chloride
INCHI	InChI=1S/C6H4NO2S.ClH/c8-6-9-7-4-2-1-3-5(7)10-6;/h1-4H;1H/q+1;/p-1
InChIKey	NIVOTSISHKQVJV-UHFFFAOYSA-M
Smiles	C1=CC=[N+]2C(=C1)SC(=O)O2.[Cl-]
Isomeric SMILES	C1=CC=[N+]2C(=C1)SC(=O)O2.[Cl-]
WGK Germany	3
Molecular Weight	189.61
Reaxy-Rn	3576269
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3576269&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Sensitivity	Moisture Sensitive
Molecular Weight	189.620 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	188.965 Da
Monoisotopic Mass	188.965 Da
Topological Polar Surface Area	55.500 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	162.000
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	2

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