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

Description

3,5-Dimethylthiophenol, also known as 5-mercapto-m-xylene, is an organic building block with the chemical formula C8H10S. It is a clear yellow liquid that serves as a starting reagent in the synthesis of various compounds.

Uses

Used in Chemical Synthesis:
3,5-Dimethylthiophenol is used as a starting reagent for the preparation of Lithium 2-lithio-3,5-dimethylbenzenethiolate. 3,5-Dimethylthiophenol is an important intermediate in the synthesis of various organic molecules.
Used in Pharmaceutical Industry:
3,5-Dimethylthiophenol is used as a starting reagent 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. These compounds have potential applications in the development of pharmaceuticals, particularly in the synthesis of novel therapeutic agents.
Used in Research and Development:
Due to its unique chemical properties, 3,5-Dimethylthiophenol is also utilized in research and development for the exploration of new chemical reactions and the creation of novel compounds with potential applications in various industries, including pharmaceuticals, materials science, and agrochemicals.

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

Upstream product

• 78-59-1 3,5,5-Trimethylcyclohex-2-en-1-one 
• 108-68-9 3,5-Dimethylphenol 
• 89816-83-1 3,5-dimethylphenyl ethyl xanthate 
• 108-69-0 3,5-dimethylaminoaniline 
• 7783-06-4 hydrogen sulfide 
• 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 
• 22445-41-6 3,5-dimethylphenyl iodide 

Downstream Products

• 171102-65-1 2-[(3,5-Dimethylphenyl)thio]-6-fluorobenzonitrile 
• 1266617-46-2 methyl 2-acetyl-5,5-bis((3,5-dimethylphenyl)thio)pentanoate 
• 1312540-18-3 (1R,2S)-1-(3,5-dimethylphenylthio)-1-mesityl-3-methoxypropan-2-ol 
• 1221576-58-4 ((1R,2S)-1-(3,5-dimethylphenylthio)-3-methoxy-1-phenylpropan-2-yloxy)diphenylphosphine 
• 1312540-19-4 C₂₅H₂₅NO₅S 
• 1312540-20-7 C₂₅H₂₅NO₅S 
• 1312540-21-8 (1S,2R)-2-(3,5-dimethylphenylthio)-3-methoxy-1-phenylpropan-1-ol 
• 1312540-22-9 ((1S,2R)-2-(3,5-dimethylphenylthio)-3-methoxy-1-phenylpropoxy)diphenylphosphine 
• 1312540-24-1 (1S,2S)-2-(3,5-dimethylphenylthio)-3-methoxy-1-phenylpropan-1-ol 
• 1312540-23-0 (1R,2R)-1-(3,5-dimethylphenylthio)-3-methoxy-1-phenylpropan-2-ol 
• 1185189-90-5 4-(3,5-dimethylphenylsulfanyl)-2-methyl-6-oxo-1,6-dihydropyridin-3-ylcarbonitrile 
• 1185189-75-6 ethyl 4-(3,5-dimethylphenylsulfanyl)-2-methyl-6-oxo-1,6-dihydropyridin-3-ylcarboxylate 
• 1234888-01-7 3-[(3,5-dimethylphenylthio)methyl]-1-mesitylpyrrolidine-2,5-dione 
• 1221521-88-5 2,4-diamino-5-methyl-6-(3',5'-dimethylphenylthio)pyrrolo[2,3-d]pyrimidine 

Relevant articles and documents

Preparation method for synthesizing thiophenol compound based on sodium sulfide nonahydrate

The invention provides a preparation method for synthesizing a thiophenol compound based on sodium sulfide nonahydrate. In an inert gas protective atmosphere, substituted iodobenzene and a sulfhydrylation reagent are added into an aprotic polar solvent, then a copper salt catalyst and a ligand compound are orderly added into the solution, the mixed solution undergoes a reaction at a temperature of 90 to 120 DEG C for 12-24h, and the reaction solution is cooled to the room temperature and is acidized so that the product is obtained. The preparation method has the advantages of simple reaction conditions, good compatibility of functional groups, high yield and small environmental pollution. Thiophenol is an important intermediate for pharmaceutical chemical synthesis and has a very wide application range in fields of chemical raw materials, pesticides and medicines. The preparation method has a great use value and good social and economic benefits.

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

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.