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615-22-5

615-22-5 Structure

615-22-5 Structure
IdentificationMore
[Name]

2-Methylmercaptobenzothiazole
[CAS]

615-22-5
[Synonyms]

1-THIOMETHOXYBENZOTHIAZOLE
2-MERCAPTOBENZOTHIAZOLE METHYL ETHER
2-METHYLMERCAPTOBENZOTHIAZOLE
2-(METHYLTHIO)BENZOTHIAZOLE
LABOTEST-BB LT00460634
2-(Methylsulfanyl)-1,3-benzothiazole
2-(methylthio)-benzothiazol
Benzothiazole, 2-(methylthio)-
Benzothiazole, 2-(methylthio)-(6CI,7CI,8CI,9CI)
Methylcaptax.
METHYLTHIOBENZOTHIAZOLE
2-Methylsulfanyl-benzothiazole
MERCURY (II) NAPTHENATE
2-(Methylthio)benzothiazole ,98%
[EINECS(EC#)]

210-417-1
[Molecular Formula]

C8H7NS2
[MDL Number]

MFCD00005784
[Molecular Weight]

181.28
[MOL File]

615-22-5.mol
Chemical PropertiesBack Directory
[Appearance]

colorless to light yellow crystalline powder
[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
[Odor]

at 0.10 % in dipropylene glycol. fatty woody smoky
[Odor Type]

fatty
[Detection Methods]

GC,NMR
[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]

615-22-5(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[TSCA ]

TSCA listed
[HS Code ]

29342000
Raw materials And Preparation ProductsBack Directory
[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:?)
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-Methylmercaptobenzothiazole(615-22-5).msds
Hazard InformationBack Directory
[Chemical Properties]

colorless to light yellow crystalline powder
[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.
[Uses]

2-(Methylthio)Benzothiazole could be useful for removing pollutants in drinking water.
[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
[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.
Spectrum DetailBack Directory
[Spectrum Detail]

2-Methylmercaptobenzothiazole(615-22-5)MS
2-Methylmercaptobenzothiazole(615-22-5)1HNMR
2-Methylmercaptobenzothiazole(615-22-5)13CNMR
2-Methylmercaptobenzothiazole(615-22-5)IR1
2-Methylmercaptobenzothiazole(615-22-5)IR2
2-Methylmercaptobenzothiazole(615-22-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-(Methylthio)benzothiazole, 98%(615-22-5)
[Sigma Aldrich]

615-22-5(sigmaaldrich)
[TCI AMERICA]

2-(Methylthio)benzothiazole,>98.0%(GC)(615-22-5)
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