38360-81-5

Basic information

• Product Name: 3,5-DIMETHYLTHIOPHENOL
• Synonyms: 3,5-DIMETHYLTHIOPHENOL;3,5-DIMETHYLBENZENE-1-THIOL;3,5-DIMETHYLBENZENETHIOL;3,5-dimethyl-benzenethio;Benzenethiol, 3,5-dimethyl-;Benzenethiol, 3,5-dimethyl- (9CI);3,5-DIMETHYLTHIOPHENOL 98%;3,5-Dimethylthiophenol,98%
• CAS NO: 38360-81-5
• Molecular Formula: C₈H₁₀S
• Molecular Weight: 138.23
• EINECS: 253-901-8
• Product Categories: THIOL;Aromatic Phenols;Phenol&Thiophenol&Mercaptan;Building Blocks;Chemical Synthesis;Organic Building Blocks;Sulfur Compounds;Thiols/Mercaptans
• Mol File: 38360-81-5.mol
• Article Data: 12

Chemical Properties

• Melting Point: -30°C (estimate)
• Boiling Point: 127.5 °C50 mm Hg(lit.)
• Flash Point: 185 °F
• Appearance: Clear yellow/Liquid
• Density: 1.015 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.209mmHg at 25°C
• Refractive Index: n20/D 1.568(lit.)
• Storage Temp.: Inert atmosphere,Room Temperature
• PKA: 6.82±0.11(Predicted)
• Sensitive: Stench
• BRN: 3233085
• CAS DataBase Reference: 3,5-DIMETHYLTHIOPHENOL(CAS DataBase Reference)
• NIST Chemistry Reference: 3,5-DIMETHYLTHIOPHENOL(38360-81-5)
• EPA Substance Registry System: 3,5-DIMETHYLTHIOPHENOL(38360-81-5)

Safety Data

• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22-20/21/22
• Safety Statements: 26-36-36/37-36/37/39-23
• RIDADR: 2810
• WGK Germany: 2
• TSCA: T
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 38360-81-5(Hazardous Substances Data)

Usage

Chemical Properties

clear yellow liquid

Uses

3,5-Dimethylbenzenethiol may be employed as a starting reagent in the preparation of Lithium 2-lithio-3,5-dimethylbenzenethiolate. It may also be used in the preparation of 1,1,2-trichloro-4-(3,5-dimethylphenylthio)-1-buten-3-yne and 1,1,2,4-tetrachloro-4-(3,5-dimethylphenylthio)-1,3-butadiene.

General Description

3,5-Dimethylbenzenethiol is an organic building block. It is also referred to as 5-mercapto-m-xylene.

InChI:InChI=1/C8H10S/c1-6-3-7(2)5-8(9)4-6/h3-5,9H,1-2H3/p-1

Upstream product

• 108-68-9 3,5-Dimethylphenol 
• 108-69-0 3,5-dimethylaminoaniline 
• 7783-06-4 hydrogen sulfide 
• 78-59-1 3,5,5-Trimethylcyclohex-2-en-1-one 
• 22445-41-6 3,5-dimethylphenyl iodide 
• 89816-83-1 3,5-dimethylphenyl ethyl xanthate 
• 65625-49-2 3,5-dimethylbenzenesulfonamide 
• 2905-27-3 3,5-dimethyl-benzenesulfonyl chloride 
• 18023-22-8 3,5-dimethylbenzenesulfinic acid 
• 219667-41-1 trifluoromethanesulfonic acid 3,5-dimethylphenyl ester 

Downstream Products

• 102143-17-9 3-(3,5-dimethylphenylsulfanyl)-propanoic acid 
• 89816-87-5 2-(3,5-dimethylphenylthio)cyclohexanone 
• 117371-44-5 3,5-dimethyl-2-(trimethylsilyl)benzenethiol 
• 65151-60-2 3,5,3',5'-tetramethyldiphenyldissulfide 
• 117371-40-1 NSC 633232 
• 152038-60-3 4-<(3',5'-Dimethylphenyl)thio>-3-nitropyridine 
• 640767-43-7 2-(3,5-dimethylphenylthio)nitrobenzene 
• 112374-91-1 1-<(3,5-dimethylphenyl)thio>-1-(phenylhydrazono)-2-propanone 
• 175437-67-9 2-Chloro-4-(3,5-dimethyl-phenylsulfanyl)-5-ethyl-6-methyl-3-nitro-pyridine 
• 175437-64-6 Acetic acid 3-[4-(3,5-dimethyl-phenylsulfanyl)-5-nitro-6-oxo-1,6-dihydro-pyridin-2-yl]-propyl ester 
• 171048-62-7 5-isopropyl-6-(3,5-dimethylphenylthio)-2,4-pyrimidinedione 

Relevant articles and documents

SINGLE-STEP SYNTHESIS METHOD OF ARYL THIOL AND APPLICATION THEREOF

The present invention relates to a single-step synthesis method of aryl thiol, and more specifically, to a method of synthesizing aryl thiol in a single-step by making aryl halide react with alkane dithiol in the presence of a transition metal catalyst. According to the present invention, a single-step synthesis method using the transition metal catalyst, the synthesis method which is capable of synthesizing aryl thiol from aryl halide at a high yield, can be provided. Various aryl halides may be applied to the synthesis method. Further, the synthesis method has advantages that an easily usable reagent may be used, operations are simple, and reactions can be performed under mild conditions. In addition, the synthesized aryl thiol may be used in the synthesis of advanced molecules such as diaryl sulfides and benzothiophenes.COPYRIGHT KIPO 2017

Copper-Catalyzed Direct Synthesis of Aryl Thiols from Aryl Iodides Using Sodium Sulfide Aided by Catalytic 1,2-Ethanedithiol

A copper-catalyzed direct and effective synthesis of aryl thiols from aryl iodides using readily available Na 2 S·9H 2 O and 1,2-ethanedithiol was described. A variety of aryl thiols were readily obtained in yields of 76-99%. In this protocol, Na 2 S·9H 2 O was used as ultimate sulfur source, and 1,2-ethanedithiol functioned as an indispensable catalytic reagent.

Solvent-free synthesis of thiophenol using uncatalyzed transfer hydrogenation

Clean and sustainable transfer hydrogenation for aryl sulfonamides and sulfonyl chlorides is described. The protocol is chemoselective and uses neither catalyst nor solvent.