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615-22-5

615-22-5 structural image
Product Name: 2-Methylmercaptobenzothiazole
Formula: C8H7NS2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Yellow liquid with an unpleasant odor; [Acros Organics MSDS]
Vapor Pressure 0.00026 [mmHg]
Collision Cross Section 131.32 Ų [M+H]+
Kovats Retention Index 1589 272.73 273.74
Chemical Classes Nitrogen Compounds -> Thiazoles

SAFETY INFORMATION

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.

COMPUTED DESCRIPTORS

Molecular Weight 181.3 g/mol
XLogP3 3.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 181.00199157 g/mol
Monoisotopic Mass 181.00199157 g/mol
Topological Polar Surface Area 66.4 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 140
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

2-methylthio-1,3-benzothiazole is an organic sulfide that is the methyl thioether of 1,3-benzothiazole-2-thiol. It has a role as an aryl hydrocarbon receptor agonist and a xenobiotic metabolite. It is a member of benzothiazoles and a methyl sulfide. It derives from a hydride of a benzothiazole.

RELATED SUPPLIERS

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product:615-22-5 2-(Methylthio)benzothiazole 98%
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