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Sigma-Aldrich

2-(Methylthio)benzothiazole

97%

Synonym(s):

2-(Methylmercapto)benzothiazole, 2-(Methylthio)benzo[d]thiazole, 2-Methylsulfanyl-1,3-benzothiazole

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About This Item

Empirical Formula (Hill Notation):
C8H7NS2
CAS Number:
615-22-5
Molecular Weight:
181.28
EC Number:
210-417-1
MDL number:
MFCD00005784
UNSPSC Code:
12352100
PubChem Substance ID:
24850249
NACRES:
NA.22

Quality Level

100

Assay

97%

form

powder

mp

43-46 °C (lit.)

SMILES string

CSc1nc2ccccc2s1

InChI

1S/C8H7NS2/c1-10-8-9-6-4-2-3-5-7(6)11-8/h2-5H,1H3

InChI key

UTBVIMLZIRIFFR-UHFFFAOYSA-N

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General description

2-(Methylthio)benzothiazole is the degradation product of 2-(thiocyanomethylthio)benzothiazole, a biocide used in the leather, pulp and paper industries.

Application

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.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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G L Larsen et al.
Xenobiotica; the fate of foreign compounds in biological systems, 18(3), 313-322 (1988-03-01)
1. When 2-methylthiobenzothiazole and 35S-labelled glutathione (GSH) were incubated with rat liver homogenates, both 35S-labelled S-(2-benzothiazolyl)-glutathione and 2-mercaptobenzothiazole were isolated from the reaction mixtures. Glutathione-S-transferase appears to be involved in the S-(2-benzothiazolyl)glutathione (GBZ) formation. 2. The evidence indicates that 2-methylthiobenzothiazole
S T Nawrocki et al.
Archives of environmental contamination and toxicology, 48(3), 344-350 (2005-03-08)
2-(Thiocyanomethylthio)benzothiazole (TCMTB) is a biocide used in the leather, pulp and paper, and water-treatment industries. TCMTB may enter aquatic ecosystems during its manufacture and use. TCMTB is environmentally unstable; therefore, it is important to evaluate the toxicity of the more
Andrea Speltini et al.
Analytical and bioanalytical chemistry, 409(28), 6709-6718 (2017-10-27)
This work shows a novel analytical method for the simultaneous extraction of environmental emerging contaminants as benzenesulfonamides (BSAs), benzotriazoles (BTRs), and benzothiazoles (BTs) from water samples. Pristine multi-walled carbon nanotubes (MWCNTs), not yet tested for such analytes, are here employed
Fulvic-acid-enhanced biodegradation of aquatic contaminants.
D Liu et al.
Bulletin of environmental contamination and toxicology, 31(2), 203-207 (1983-08-01)
Determination of polar 1H-benzotriazoles and benzothiazoles in water by solid-phase extraction and liquid chromatography LTQ FT Orbitrap mass spectrometry.
van Leerdam JA, et al.
International Journal of Mass Spectrometry, 282(3), 99-107 (2009)
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