Benzothiazolium,2,3-dimethyl-, iodide supplier

Name
Benzothiazolium, 2,3-dimethyl-, iodide
EINECS
CAS No. 2785-06-0
Article Data68
CAS DataBase
Density
Solubility
Melting Point 229-230℃
Formula C₉H₁₀INS
Boiling Point
Molecular Weight 291.156
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Methylbenzothiazole methiodide;2,3-Dimethylbenzothiazoliumiodide (6CI,7CI);Benzothiazolium, 2,3-dimethyl-, iodide (8CI,9CI);2,3-Dimethylbenzothiazol-3-ium iodide;2-Methylbenzothiazole methyliodide;N-Methyl-2-methylbenzothiazolium iodide;
PSA 32.12000
LogP -0.96180

Benzothiazolium,2,3-dimethyl-, iodide Specification

The Benzothiazolium,2,3-dimethyl-, iodide (1:1) is an organic compound with the molecular formula C₉H₁₀INS. Its CAS registry number is 2785-06-0. The IUPAC name of this chemical is called 2,3-Dimethyl-1,3-benzothiazol-3-ium iodide. What's more, the molecular weight of this chemical is 291.15187.

Physical properties about tBenzothiazolium,2,3-dimethyl-, iodide (1:1) are: (1)#H bond acceptors: 1; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 0; (4)Polar Surface Area: 32.12 Å².

Preparation of Benzothiazolium,2,3-dimethyl-, iodide (1:1): this chemical can be prepared by 2-methyl-benzothiazole with iodomethane. This reaction needs solvent nitromethane at temperature of 70 °C. The reaction time is 24 hours. The yield is 93 %. The reaction equation is as followed:

Benzothiazolium,2,3-dimethyl-, iodide can be prepared by 2-methyl-benzothiazole with iodomethane.

Uses of Benzothiazolium,2,3-dimethyl-, iodide (1:1): it can be used to produce other chemicals. For example, it is used to produce 2-[3-(dimethylhydrazono)-1-propenyl]-3-methylbenzothiazolium-iodid with glyoxal mono-dimethylhydrazone. The reaction occurs with reagent Et₃N, solvent ethanol and other condition of heating for 5 min. The yield is 90 %. The reaction equation is as followed:

Benzothiazolium,2,3-dimethyl-, iodide can be used to produce 2-[3-(Dimethylhydrazono)-1-propenyl]-3-methylbenzothiazolium-iodid with glyoxal mono-dimethylhydrazone.

You can still convert the following datas into molecular structure:
(1) SMILES: [I-].s2c1ccccc1[n+](c2C)C
(2) InChI: InChI=1/C9H10NS.HI/c1-7-10(2)8-5-3-4-6-9(8)11-7;/h3-6H,1-2H3;1H/q+1;/p-1
(3) InChIKey: VZRIFNLQJXPRJI-REWHXWOFAO

Product Name

Benzothiazolium, 2,3-dimethyl-, iodide

Benzothiazolium,2,3-dimethyl-, iodide Specification

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