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| | 2-Methylmercaptobenzothiazole Basic information |
| | 2-Methylmercaptobenzothiazole Chemical Properties |
| Melting point | 43-46 °C(lit.) | | Boiling point | 177 °C / 22mmHg | | density | 1.2625 (rough estimate) | | refractive index | 1.5700 (estimate) | | Fp | >230 °F | | storage temp. | Sealed in dry,Room Temperature | | solubility | Chloroform (Sparingly), Methanol (Slightly, Sonicated) | | pka | 1.22±0.10(Predicted) | | form | Solid | | color | White to Off-White | | Odor | at 0.10 % in dipropylene glycol. fatty woody smoky | | Odor Type | fatty | | InChI | 1S/C8H7NS2/c1-10-8-9-6-4-2-3-5-7(6)11-8/h2-5H,1H3 | | InChIKey | UTBVIMLZIRIFFR-UHFFFAOYSA-N | | SMILES | CSc1nc2ccccc2s1 | | LogP | 3.150 | | CAS DataBase Reference | 615-22-5(CAS DataBase Reference) | | NIST Chemistry Reference | 2-(Methylthio)benzothiazole(615-22-5) | | EPA Substance Registry System | 2-(Methylthio)benzothiazole (615-22-5) |
| Hazard Codes | Xi,F | | Risk Statements | 36/37/38-15 | | Safety Statements | 26-36-43 | | WGK Germany | 3 | | TSCA | TSCA listed | | HS Code | 29342000 | | Storage Class | 10 - Combustible liquids | | Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | 2-Methylmercaptobenzothiazole Usage And Synthesis |
| Chemical Properties | colorless to light yellow crystalline powder | | Uses | 2-(Methylthio)Benzothiazole could be useful for removing pollutants in drinking water. | | Uses | 2-(Methylthio)benzothiazole was used in trace determination of polar 1H-benzotriazoles and benzothiazoles in drinking and surface water by liquid chromatography-electrospray mass spectrometry. | | Definition | ChEBI: An organic sulfide that is the methyl thioether of 1,3-benzothiazole-2-thiol. | | General Description | 2-(Methylthio)benzothiazole is the degradation product of 2-(thiocyanomethylthio)benzothiazole, a biocide used in the leather, pulp, paper and water-treatment industries. | | Synthesis | 16.7 g of
2-mercaptobenzothiazole was added to 100 ml of dichloromethane, 11.5 g of triethylamine was added, stirring to dissolve all the material, 13.1 g of dimethyl sulfate was added dropwise, after completion of dropwise addition stirring was carried out for 2 hrs at 45 degree C. TLC tracked the completion of the reaction, the reaction mixture was washed with water and evaporated to dryness. The residue was dissolved using 100 ml of anhydrous ethanol and crystallized by stirring at about 0 degree C. Benzothiazol-2-yl-methyl sulfide (I) precipitated as white crystals. It was filtered and dried in a vacuum oven to give 17.6 g of 2-methylthio benzothiazole. | | Metabolic pathway | When 2-methylthiobenzothiazole and 35S-labeled
glutathione (GSH) are incubated with rat liver
microsomes, both 35S-labeled S-(2-
benzothiazolyl)glutathione and 2-
mercaptobenzothiazole are isolated from the reaction
mixtures. Glutathione-S-transferase appears to be
involved in the S-(2- benzothiazolyl)glutathione
formation. Although sulfur is exchanged in this
pathway, the net result of this pathway which involves
oxidation of the methylthio group and GSH conjugation
is an apparent S-demethylation of the methylthio
group. Another S-demethylation pathway that does not
involve GSH conjugation also functions in vitro. |
| | 2-Methylmercaptobenzothiazole Preparation Products And Raw materials |
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