2-(methyl thio) benzothiazole
benzothiazole, 2-(methylthio)-
Identification
| Name | 2-(methyl thio) benzothiazole |
| IUPAC | 2-methylsulfanyl-1,3-benzothiazole |
| CAS Number | 615-22-5 |
| EINECS | 210-417-1 |
| FDA UNII | 2748L341KY |
| Molecular Formula | C8 H7 N S2 |
| Molecular Weight | 181.28079000 |
| MDL Number | MFCD00005784 |
| Nikkaji Number | J37.327C |
| XlogP3 | 3.10 (est) |
Regulatory
Physical Properties
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Melting Point | 44.00 to 46.00 °C. @ 760.00 mm Hg |
| Boiling Point | 302.00 to 303.00 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure | 0.002000 mmHg @ 25.00 °C. (est) |
| Flash Point | > 230.00 °F. TCC ( > 110.00 °C. ) |
| logP (o/w) | 3.150 |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description | at 0.10 % in dipropylene glycol. |
Safety Information
| Preferred SDS | View |
| Oral/Parenteral Toxicity | Not determined |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | natural substances and extractives |
| Recommendation for 2-(methyl thio) benzothiazole usage levels up to | not for fragrance use. |
| Recommendation for 2-(methyl thio) benzothiazole flavor usage levels up to | not for flavor use. |
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Potential Uses
Natural Occurrence
Synonyms
benzothiazole, 2-(methylthio)-
2-(
methyl mercapto) benzothiazole
2-
methyl thiobenzothiazole
2-
methylmercaptbenzothiazole
2-(
methylmercapto)benzothiazole
2-
methylmercaptobenzothiazole
2-
methylsulfanyl-1,3-benzothiazole
2-(
methylsulfanyl)-1,3-benzothiazole
2-
methylthio-1,3-benzothiazole
2-(
methylthio)-1,3-benzothiazole
2-(
methylthio)benzothiazole
2-
methylthiobenzothiazole
PubMed:
Plant-plant-microbe mechanisms involved in soil-borne disease suppression on a maize and pepper intercropping system.
PubMed:
Monitoring of 1300 organic micro-pollutants in surface waters from Tianjin, North China.
PubMed:
Benzotriazoles and benzothiazoles in human urine from several countries: a perspective on occurrence, biotransformation, and human exposure.
PubMed:
Development of a solid-phase extraction liquid chromatography tandem mass spectrometry method for benzotriazoles and benzothiazoles in wastewater and recycled water.
PubMed:
Occurrence and removal efficiencies of benzotriazoles and benzothiazoles in a wastewater treatment plant in Greece.
PubMed:
Determination of benzotriazoles and benzothiazoles in human urine by liquid chromatography-tandem mass spectrometry.
PubMed:
Occurrence and fate of benzothiazoles and benzotriazoles in constructed wetlands.
PubMed:
Mercaptobenzothiazole allergenicity-role of the thiol group.
PubMed:
Evaluation of the treatment efficiencies of paper mill whitewaters in terms of organic composition and toxicity.
PubMed:
Comparative aquatic toxicity evaluation of 2-(thiocyanomethylthio)benzothiazole and selected degradation products using Ceriodaphnia dubia.
PubMed:
In vitro metabolism of the methylthio group of 2-methylthiobenzothiazole by rat liver.
PubMed:
Freshwater leeches (Hirudinea) as a screening tool for detecting organic contaminants in the environment.
PubMed:
[Characterization by thin layer chromatography of benzothiazole derivatives and beta-sitosterol leached by disposable syringes].
PubMed:
Microbial removal of wastewater organic compounds as a function of input concentration in soil columns.
PubMed:
Fulvic-acid-enhanced biodegradation of aquatic contaminants.
PubMed:
Nonpolar lipid methylation-identification of nonpolar methylated products synthesized by rat basophilic leukemia cells, retina and parotid.