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Name |
Benzothiazolium,2,3-dimethyl-, iodide |
EINECS | N/A |
CAS No. | 2785-06-0 | Density | N/A |
PSA | 32.12000 | LogP | -0.96180 |
Solubility | N/A | Melting Point |
229-230℃ |
Formula | C9H10INS | Boiling Point | N/A |
Molecular Weight | 291.156 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
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; |
Article Data | 68 |
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:
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:
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