2-Methylmercaptobenzothiazole Property

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

Odor

at 0.10 % in dipropylene glycol. fatty woody smoky

Odor Type

fatty

InChIKey

UTBVIMLZIRIFFR-UHFFFAOYSA-N

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)

Safety

Hazard Codes 

Xi,F

Risk Statements 

36/37/38-15

Safety Statements 

26-36-43

WGK Germany 

3

HS Code 

29342000

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P271Use only outdoors or in a well-ventilated area.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

2-Methylmercaptobenzothiazole Chemical Properties,Usage,Production

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.

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.