(2-Methylphenyl)methanethiol

Base Information

• Chemical Name: (2-Methylphenyl)methanethiol
• CAS No.: 7341-24-4
• Molecular Formula: C8H10S
• Molecular Weight: 138.233
• Hs Code.: 2930909090
• European Community (EC) Number: 817-684-9
• NSC Number: 148323
• DSSTox Substance ID: DTXSID60302072
• Nikkaji Number: J714.584E
• Wikidata: Q82046598
• Mol file: 7341-24-4.mol

Synonyms:(2-methylphenyl)methanethiol;7341-24-4;2-Methylbenzyl mercaptan;2-Methylbenzylmercaptan;o-tolylmethanethiol;2-Methylbenzenemethanethiol;o-tolyl-methanethiol;NSC148323;SCHEMBL842314;DTXSID60302072;MFCD00022074;AKOS000199988;AT13699;NSC 148323;NSC-148323;AS-58313;FT-0604641;EN300-21106

Chemical Property of (2-Methylphenyl)methanethiol

Chemical Property:

• Refractive Index: 1.5720
• Boiling Point: 220.4 °C at 760 mmHg
• Flash Point: 86.8 °C
• PSA: 38.80000
• Density: 1.015 g/cm³
• LogP: 2.42480
• Sensitive.: Air Sensitive
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 138.05032149
• Heavy Atom Count: 9
• Complexity: 80.6

Purity/Quality:

99% ^*data from raw suppliers

(2-METHYLPHENYL)METHANETHIOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1CS

Technology Process of (2-Methylphenyl)methanethiol

There total 7 articles about (2-Methylphenyl)methanethiol 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:

2-methylbenzyl bromide (89-92-9) → 2-methylbenzyl mercaptan (7341-24-4)

Guidance literature:

With sodium hydrogensulfide; ethanol;

DOI:10.1021/ja01107a032

Reference yield:

[(methylthio)methyl]-benzene (766-92-7) → 2-methylbenzyl mercaptan (7341-24-4)

Guidance literature:

With ammonia; potassium amide; Erwaermen des mit Aether versetzten Reaktionsgemisches;

DOI:10.1021/ja01107a032

Reference yield:

(benzylthiomethyl)tributylstannane (1404591-81-6) → 2-methylbenzyl mercaptan (7341-24-4)

Guidance literature:

(benzylthiomethyl)tributylstannane; With n-butyllithium; In tetrahydrofuran; at -30 ℃; for 0.5h; Inert atmosphere;

With trifluoroacetic acid; In trifluoroacetic acid; Inert atmosphere;

DOI:10.1021/jo301441g

upstream raw materials:

[(methylthio)methyl]-benzene

2-methylbenzyl bromide

1,3-Dihydrobenzothiophen

o-xylene

Downstream raw materials:

ethyl 2-((2-methylbenzyl)thio)acetate

bis(2-methylbenzyl) sulfide

ethyl 2-(2-methylphenyl)acetate

4-(2-fluorophenyl)-1-methyl-4-(2-methylbenzylthio)piperidine hydrochloride

Refernces

• 1、 Wieczorek, Anna,Hammerschmidt, Friedrich. "On the preparation and determination of configurational stability of chiral thio- and bromo[D1]methyllithiums". . p. 10021 - 10034. Retrieved 2013/01/15.