2-Methylmercaptobenzothiazole

CAS NO.：615-22-5
Empirical Formula: C8H7NS2
Molecular Weight: 181.28
MDL number: MFCD00005784
EINECS: 210-417-1
SAFETY DATA SHEET (SDS)
Update Date: 2023-06-08 17:06:36

What is 2-Methylmercaptobenzothiazole?

Chemical properties

colorless to light yellow crystalline powder

The Uses of 2-Methylmercaptobenzothiazole

2-(Methylthio)Benzothiazole could be useful for removing pollutants in drinking water.

The Uses of 2-Methylmercaptobenzothiazole

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.

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.

Properties of 2-Methylmercaptobenzothiazole

Melting point:	43-46 °C(lit.)
Boiling point:	177 °C / 22mmHg
Density	1.2625 (rough estimate)
refractive index	1.5700 (estimate)
Flash point:	>230 °F
storage temp.	Sealed in dry,Room Temperature
solubility	Chloroform (Sparingly), Methanol (Slightly, Sonicated)
form	Solid
pka	1.22±0.10(Predicted)
color	White to Off-White Low-Melting
Odor	at 0.10 % in dipropylene glycol. fatty woody smoky
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)

Safety information for 2-Methylmercaptobenzothiazole

Signal word	Warning
Pictogram(s)	Exclamation Mark Irritant GHS07
GHS Hazard Statements	H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes	P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.