2,3-Dimethylbenzenethiol

Base Information

• Chemical Name: 2,3-Dimethylbenzenethiol
• CAS No.: 18800-51-6
• Molecular Formula: C8H10S
• Molecular Weight: 138.233
• Hs Code.: 2930909090
• European Community (EC) Number: 242-586-2
• UNII: W14R28GZJ0
• DSSTox Substance ID: DTXSID9066417
• Nikkaji Number: J155.600B
• Wikidata: Q72472244
• Mol file: 18800-51-6.mol

Synonyms:2,3-Dimethylbenzenethiol;18800-51-6;2,3-DIMETHYLTHIOPHENOL;Benzenethiol, dimethyl-;Benzenethiol, 2,3-dimethyl-;2,3-Dimethyl Thiophenol;2,3-Xylenethiol;W14R28GZJ0;EINECS 242-586-2;xylyl mercaptan;2,3-Dimethylbenzenethiol #;UNII-W14R28GZJ0;SCHEMBL21520;2,3-Dimethylbenzene-1-thiol;DTXSID9066417;2 pound not3-Dimethyl Thiophenol;AKOS006272610;CS-0279564;FT-0657951;F20973;EN300-1867795;J-507034

Chemical Property of 2,3-Dimethylbenzenethiol

Chemical Property:

• Vapor Pressure: 0.199mmHg at 25°C
• Melting Point: -30°C (estimate)
• Refractive Index: 1.568
• Boiling Point: 217.07 °C at 760 mmHg
• PKA: 6.92±0.48(Predicted)
• Flash Point: 84.645 °C
• PSA: 38.80000
• Density: 1.027 g/cm³
• LogP: 2.59210
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 138.05032149
• Heavy Atom Count: 9
• Complexity: 90.6

Purity/Quality:

98%Min ^*data from raw suppliers

2,3-DIMETHYLTHIOPHENOL ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)S)C

Technology Process of 2,3-Dimethylbenzenethiol

There total 7 articles about 2,3-Dimethylbenzenethiol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 94.0%

2,3-dimethylphenyl ethyl xanthate (89816-80-8) → 2,3-dimethylbenzenethiol (18800-51-6)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; for 3h; Heating;

Reference yield: 92.0%

1,2-bis(2,3-dimethylphenyl)disulfane (55990-91-5) → 2,3-dimethylbenzenethiol (18800-51-6)

Guidance literature:

With sodium tetrahydroborate; sodium hydroxide; In water; acetonitrile; at 80 - 82 ℃; for 3h; Inert atmosphere;

Reference yield:

ethoxy-dithioacetic acid 2,3-dimethyl-phenyl ester → 2,3-dimethylbenzenethiol (18800-51-6)

Guidance literature:

ethoxy-dithioacetic acid 2,3-dimethyl-phenyl ester; With lithium aluminium tetrahydride; In diethyl ether; at 20 ℃; for 3.67h;

With hydrogenchloride; In water; at 10 ℃;

upstream raw materials:

2,3-Dimethylaniline

2,3-dimethylphenyl ethyl xanthate

potassium ethyl xanthogenate

2,3-dimethylbenzenesulfonyl chloride

Downstream raw materials:

α-(2,3-Dimethyl-phenylmercapto)-propionaldehyd-diethylacetal

1,2-dimethyl-3-(methylsulfanyl)benzene

S-(2,3-Dimethylphenyl) N,N,N',N'-tetramethylphosphorodiamidothioate

dimethyl-thiocarbamic acid S-(2,3-dimethylphenyl) ester

Refernces

• 1、 -. "ARYLTHIOETHERPYRIMIDINE AND ARYLOXYETHERPYRIMIDINE DERIVATIVES AND THEIR THERAPEUTIC USES". Page 51. . Retrieved 2008/06/13.