2,4-Dimethylbenzenethiol

Base Information

• Chemical Name: 2,4-Dimethylbenzenethiol
• CAS No.: 13616-82-5
• Molecular Formula: C8H10S
• Molecular Weight: 138.233
• Hs Code.: 29309090
• European Community (EC) Number: 237-100-0
• NSC Number: 202925
• UNII: WUI5ZA7FV3
• DSSTox Substance ID: DTXSID5065560
• Nikkaji Number: J155.601K
• Wikidata: Q72469393
• Mol file: 13616-82-5.mol

Synonyms:2,4-Dimethylbenzenethiol;2,4-Dimethylthiophenol;13616-82-5;2,4-Dimethyl thiophenol;Benzenethiol, 2,4-dimethyl-;2,4-Xylenethiol;2,4-Thioxylenol;WUI5ZA7FV3;2,4-dimethylbenzene-1-thiol;EINECS 237-100-0;MFCD00010019;NSC 202925;NSC-202925;4-Mercapto-m-xylene;4-methylthiocresol;m-Xylene-4-thiol;NSC202925;Cc1cc(C)ccc1S;Benzenethiol,dimethyl-;2.4-Dimethyl-thiophenol;Benzenethiol,4-dimethyl-;UNII-WUI5ZA7FV3;2,4-dimethyl-benzenethiol;SCHEMBL234687;DTXSID5065560;2,4-Dimethylbenzenethiol, 95%;BCP08967;AKOS000120705;PS-6000;AC-29254;BP-10122;CS-0010544;D2648;FT-0610149;EN300-20978;D81744;J-507244

Chemical Property of 2,4-Dimethylbenzenethiol

Chemical Property:

• Appearance/Colour: clear yellow liquid
• Vapor Pressure: 0.315mmHg at 25°C
• Melting Point: -30°C (estimate)
• Refractive Index: n20/D 1.569(lit.)
• Boiling Point: 208 °C at 760 mmHg
• PKA: 7.02±0.48(Predicted)
• Flash Point: 58.3 °C
• PSA: 38.80000
• Density: 1.027 g/cm³
• LogP: 2.59210
• Storage Temp.: 2-8°C(protect from light)
• Sensitive.: Stench
• XLogP3: 2.8
• 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:

NLT 98% ^*data from raw suppliers

2,4-Thioxylenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39-37/39-36-7/9

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)S)C
• Uses: Chemical intermediate, peptizer for natural and SBR rubbers.

Technology Process of 2,4-Dimethylbenzenethiol

There total 15 articles about 2,4-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: 95.0%

2,4-dimethylbenzenesulfonyl chloride (609-60-9) → 2,4-dimethyl-thiophenol (13616-82-5)

Guidance literature:

With ISOPROPYLAMIDE; dimethylsilicon dichloride; zinc; In 1,2-dichloro-ethane; at 75 ℃; for 1.5h;

DOI:10.1016/S0040-4039(99)00408-6

Reference yield: 93.0%

2,4-dimethylphenyl ethyl xanthate (89816-81-9) → 2,4-dimethyl-thiophenol (13616-82-5)

Guidance literature:

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

Reference yield: 92.0%

2,2'-dipyridyldisulphide (2127-03-9) + 2,4-dimethylbenzenesulfonic acid (88-61-9) + triphenylphosphine (603-35-0) → 2-Sulfanylpyridine (2637-34-5,73018-10-7) + 2,4-dimethyl-thiophenol (13616-82-5) + Triphenylphosphine oxide (791-28-6)

Guidance literature:

In benzene; for 2h; Product distribution; Mechanism; Heating; further reaction partners - various diaryl disulfides;

DOI:10.1246/bcsj.57.232

upstream raw materials:

2,4-dimethylbenzenesulfonyl chloride

2,4-dimethyl-benzenesulfinic acid

2,4-Xylidine

2,2'-dipyridyldisulphide

Downstream raw materials:

1-(2,4-Dimethyl-phenylsulfanyl)-4-p-tolyl-phthalazine

1-(2,3-Dimethyl-phenyl)-4-(2,4-dimethyl-phenylsulfanyl)-phthalazine

(2-(2,4-dimethylphenylthio)ethyl)diphenylphosphine

[((C₆H₅)3P)Pd(S(C₆H₃(CH₃)2))(C₆H₅)]2

Refernces

• 1、 Patil, Yogesh,Shingare, Ramesh,Chakraborty, Shakti,Borkute, Rachana,Sarkar, Dhiman,Madje, Balaji. "Synthesis and biological evaluation of some bicyclic [2-(2,4-dimethylphenylthio)phenyl] aniline and its amide derivatives as potential antitubercular agents". . . Retrieved 2018/02/27.
• 2、 Uchiro, Hiromi,Kobayashi, Susumu. "Non-aqueous reduction of aromatic sulfonyl chlorides to thiols using a dichlorodimethylsilane-zinc-dimethylacetamide system". . p. 3179 - 3182. Retrieved 2007/10/03.