Product

2-Methylmercaptobenzothiazole

CAS No.：615-22-5

Other grades of this product :

2-Methylmercaptobenzothiazole Basic information

Product Name:	2-Methylmercaptobenzothiazole
Synonyms:	2-(Methylsulfanyl)-1,3-benzothiazole;2-(methylthio)-benzothiazol;Benzothiazole, 2-(methylthio)-;Benzothiazole, 2-(methylthio)- (6CI,7CI,8CI,9CI);METHYLTHIOBENZOTHIAZOLE;2-Methylsulfanyl-benzothiazole;MERCURY (II) NAPTHENATE;Methylcaptax.
CAS:	615-22-5
MF:	C8H7NS2
MW:	181.28
EINECS:	210-417-1
Product Categories:	BENZOTHIAZOLE;Building Blocks;Heterocyclic Building Blocks;Thiazoles
Mol File:	615-22-5.mol

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)
form	Solid
pka	1.22±0.10(Predicted)
color	White to Off-White Low-Melting
InChIKey	UTBVIMLZIRIFFR-UHFFFAOYSA-N
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

Hazard Codes	Xi,F
Risk Statements	36/37/38-15
Safety Statements	26-36-43
WGK Germany	3
HS Code	29342000

MSDS Information

Provider	Language
2-Methylmercaptobenzothiazole	English
ACROS	English
SigmaAldrich	English

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.
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

Raw materials	Benzothiazole, 2-(methylsulfinyl)- (7CI,8CI,9CI)-->1-Propanone, 2-(methylthio)-1-phenyl--->1-(4-Methoxyphenyl)-2-Methylpropan-1-one-->N-METHYLBENZOTHIAZOLE-2-THIONE-->4'-CHLORO-2-METHYLPROPIOPHENONE-->2,4'-dimethylpropiophenone-->2-Bromo-1,3-benzothiazole-->2-(METHYLTHIO)THIAZOLE-->Isobutyrophenone-->2-Mercaptobenzothiazole-->Propiophenone-->Dimethyl sulfate-->Iodomethane
Preparation Products	3-Methyl-2-benzothiazolinone hydrazone hydrochloride monohydrate-->3-Methyl-2(3H)-benzothiazolone hydrazone hydrochloride hydrate (1:1:?)

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