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3-Methylbenzothiazolium Iodide - >98.0%(T), high purity , CAS No.2786-31-4

COA

Grade & Purity:

≥98%(T)

Cas Number: 2786-31-4
Molecular Weight: 277.12
MDL number: MFCD00050297
PubChem CID: 2735081
PubChem SID: 488192700

In stock

Item Number

M158489

Grouped product items
SKU	Size	Availability	Price
M158489-5g	5g	5	$44.90
M158489-25g	25g	8	$167.90
M158489-100g	100g	3	$481.90
M158489-250g	250g	4	$1,030.90

Discover 3-Methylbenzothiazolium Iodide by Aladdin Scientific in >98.0%(T) for only $44.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	3-Methylbenzothiazolium iodide \| 2786-31-4 \| Benzothiazolium, 3-methyl-, iodide (1:1) \| 3-methyl-1,3-benzothiazol-3-ium iodide \| 3-methyl-1,3-benzothiazol-3-ium;iodide \| 3-Methylbenzo[d]thiazol-3-ium iodide \| n-methylbenzothiazolium iodide \| Benzothiazole methiodide \| 3-
Specifications & Purity	≥98%(T)
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 Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic iodide salts Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	1,3-benzothiazole - Benzenoid - Heteroaromatic compound - Thiazole - Azole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic iodide salt - Organic salt - Organonitrogen 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

Pubchem Sid	488192700
IUPAC Name	3-methyl-1,3-benzothiazol-3-ium;iodide
INCHI	InChI=1S/C8H8NS.HI/c1-9-6-10-8-5-3-2-4-7(8)9;/h2-6H,1H3;1H/q+1;/p-1
InChIKey	SGYIRNXZLWJMCR-UHFFFAOYSA-M
Smiles	C[N+]1=CSC2=CC=CC=C21.[I-]
Isomeric SMILES	C[N+]1=CSC2=CC=CC=C21.[I-]
PubChem CID	2735081
Molecular Weight	277.12
Reaxy-Rn	3917816

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
L2418239	Certificate of Analysis	Mar 15, 2022	M158489
F2204974	Certificate of Analysis	Mar 15, 2022	M158489
F2204904	Certificate of Analysis	Mar 15, 2022	M158489
F2204903	Certificate of Analysis	Mar 15, 2022	M158489
D1808083	Certificate of Analysis	Feb 19, 2022	M158489
D2320269	Certificate of Analysis	Feb 19, 2022	M158489

Chemical and Physical Properties

Melt Point(°C)	208-210℃
Molecular Weight	277.130 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	276.942 Da
Monoisotopic Mass	276.942 Da
Topological Polar Surface Area	32.100 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	126.000
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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