3-Methylbenzenethiol

Base Information Edit

Chemical Name:3-Methylbenzenethiol
CAS No.:108-40-7
Molecular Formula:C7H8S
Molecular Weight:124.207
Hs Code.:29309090
European Community (EC) Number:203-578-4
NSC Number:81219
UNII:0TK859NX9S
DSSTox Substance ID:DTXSID1059361
Nikkaji Number:J5.076H
Wikidata:Q27237236
Mol file:108-40-7.mol

Synonyms:3-Methylbenzenethiol;m-Thiocresol;108-40-7;m-Toluenethiol;3-Methylthiophenol;3-THIOCRESOL;Benzenethiol, 3-methyl-;m-Methylbenzenethiol;m-Methylthiophenol;m-Mercaptotoluene;3-Mercaptotoluene;m-Tolylmercaptan;3-methylbenzene-1-thiol;Toluene-3-thiol;3-methyl-benzenethiol;Toluene, 3-mercapto-;USAF EK-2680;m-tolylthiol;m-Tolyl Mercaptan;NSC 81219;HSDB 2023;EINECS 203-578-4;BRN 1851959;UNII-0TK859NX9S;0TK859NX9S;NSC-81219;thio-m-cresol;Thio-m-kresol;toluen-3-thiol;Toluenethiol, m-;NSC81219;3-methyl thiophenol;3-methyl-thiophenol;M-THIOCRESOL [MI];3-Methylbenzenethiol, 95%;3-THIOCRESOL [HSDB];(3-METHYLPHENYL)THIOL;SCHEMBL186240;3-METHYLPHENYL MERCAPTAN;DTXSID1059361;CCG-40424;CK1158;MFCD00004843;AKOS005206748;AM10276;PS-5445;LS-154203;FT-0616400;T0289;EN300-53028;Q27237236;M3T

Suppliers and Price of 3-Methylbenzenethiol

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Usbiological
3-Methylbenzenethiol
25g
$ 422.00

TCI Chemical
m-Toluenethiol >98.0%(GC)(T)
25g
$ 84.00

TCI Chemical
m-Toluenethiol >98.0%(GC)(T)
5g
$ 28.00

SynQuest Laboratories
3-Methylthiophenol 98%
5 g
$ 52.00

Sigma-Aldrich
3-Methylbenzenethiol 95%
5g
$ 58.70

Frontier Specialty Chemicals
3-Methylbenzenethiol
25g
$ 152.00

Frontier Specialty Chemicals
3-Methylbenzenethiol
5g
$ 50.00

Apolloscientific
3-Methylthiophenol 98%
5g
$ 44.00

American Custom Chemicals Corporation
3-METHYL BENZENE THIOL 95.00%
5G
$ 808.96

American Custom Chemicals Corporation
3-METHYL BENZENE THIOL 95.00%
2.5G
$ 746.88

Total 41 raw suppliers

Chemical Property of 3-Methylbenzenethiol Edit

Chemical Property:

Appearance/Colour:clear colorless to light yellow liquid
Vapor Pressure:0.601mmHg at 25°C
Melting Point:<-20 °C
Refractive Index:n20/D 1.5762(lit.)
Boiling Point:195 °C at 760 mmHg
PKA:pK1:6.58 (25°C)
Flash Point:72.8 °C
PSA：38.80000
Density:1.049 g/cm³
LogP:2.28370
Sensitive.:Stench
Water Solubility.:Insoluble in water
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:0
Exact Mass:124.03467143
Heavy Atom Count:8
Complexity:70.8

Purity/Quality:

99% ^*data from raw suppliers

3-Methylbenzenethiol ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn, Xi
Hazard Codes:Xi,Xn
Statements: 37/38-41-36/37/38-20/21/22
Safety Statements: 26-39-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Chemical Classes:Other Classes -> Sulfur Compounds
Canonical SMILES:CC1=CC(=CC=C1)S
Uses 3-Methylbenzenethiol is used as an antiseptic, dermatologic agent, and bleach in the manufacture of latex /tolyl mercaptan.

Technology Process of 3-Methylbenzenethiol

There total 22 articles about 3-Methylbenzenethiol 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: 92.0%

: 625-95-6
3-Iodotoluene

: 108-40-7
toluene-3-thiol

Guidance literature:: 3-Iodotoluene; With copper(l) iodide; potassium carbonate; sulfur; In N,N-dimethyl-formamide; at 90 ℃; for 12h; Inert atmosphere;

With sodium tetrahydroborate; In N,N-dimethyl-formamide; at 40 ℃; Inert atmosphere; Cooling with ice;
DOI:10.1021/ol902186d

Reference yield: 92.0%

: 4886-77-5
3-methylthioanisole

: 108-40-7
toluene-3-thiol

Guidance literature:: With N,N,N,N,N,N-hexamethylphosphoric triamide; sodium hydride; diethylamine; In xylene; for 6h; Heating;
DOI:10.1055/s-1982-29868

Reference yield: 85.0%

: 20333-41-9
bis(3-methylphenyl)disulfide

: 108-40-7
toluene-3-thiol

Guidance literature:: With 1-benzyl-1-azonia-4-azabicyclo[2.2.2]octane tetrahydroborate; In tert-butyl alcohol; for 10h; Heating;
DOI:10.1246/bcsj.68.2595