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2，3-Bis(methylthio)quinoxaline - ≥98%, high purity , CAS No.76261-60-4

COA

Grade & Purity:

≥98%

Cas Number: 76261-60-4
Molecular Weight: 222.33
MDL number: MFCD01246401
PubChem CID: 3303915

In stock

Item Number

B770429

Grouped product items
SKU	Size	Availability	Price	Qty
B770429-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$520.90

Basic Description

Specifications & Purity	≥98%
Storage Temp	Room temperature,Desiccated
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazanaphthalenes
    - Subclass Benzodiazines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazanaphthalenes
Subclass	Benzodiazines
Intermediate Tree Nodes	Not available
Direct Parent	Quinoxalines
Alternative Parents	Alkylarylthioethers Pyrazines Benzenoids Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Quinoxaline - Aryl thioether - Alkylarylthioether - Benzenoid - Pyrazine - Heteroaromatic compound - Azacycle - Sulfenyl compound - Thioether - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as quinoxalines. These are compounds containing a quinoxaline moiety, a bicyclic heterocycle made up of a benzene ring fused to a pyrazine ring.
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	2,3-bis(methylsulfanyl)quinoxaline
INCHI	InChI=1S/C10H10N2S2/c1-13-9-10(14-2)12-8-6-4-3-5-7(8)11-9/h3-6H,1-2H3
InChIKey	KRZYNDUYDIEFJV-UHFFFAOYSA-N
Smiles	CSC1=NC2=CC=CC=C2N=C1SC
Isomeric SMILES	CSC1=NC2=CC=CC=C2N=C1SC
PubChem CID	3303915
Molecular Weight	222.33

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	222.300 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	222.029 Da
Monoisotopic Mass	222.029 Da
Topological Polar Surface Area	76.400 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	169.000
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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