4-Methylbenzenethiol

Base Information

Chemical Name:4-Methylbenzenethiol
CAS No.:106-45-6
Molecular Formula:C7H8S
Molecular Weight:124.207
Hs Code.:29309070
European Community (EC) Number:203-399-1
NSC Number:229565,2227
UNII:6L2WW9XYZO
DSSTox Substance ID:DTXSID5048188
Nikkaji Number:J5.051B
Wikidata:Q18466653
ChEMBL ID:CHEMBL119359
Mol file:106-45-6.mol

Synonyms:4-methylbenzenethiol;p-toluenethiol

Suppliers and Price of 4-Methylbenzenethiol

Supply Marketing:

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

Alfa Aesar
p-Thiocresol, 98%
25g
$ 39.40

Alfa Aesar
p-Thiocresol, 98%
100g
$ 67.60

Alfa Aesar
p-Thiocresol, 98%
500g
$ 218.00

American Custom Chemicals Corporation
PARA TOLUENETHIOL 95.00%
25G
$ 1054.05

American Custom Chemicals Corporation
PARA TOLUENETHIOL 95.00%
100G
$ 2336.20

Apolloscientific
4-Methylthiophenol
500g
$ 291.00

Apolloscientific
4-Methylthiophenol
25g
$ 41.00

Apolloscientific
4-Methylthiophenol
100g
$ 98.00

Frontier Specialty Chemicals
p-Toluenethiol 99%
25g
$ 27.00

Frontier Specialty Chemicals
p-Toluenethiol 99%
500g
$ 209.00

Total 21 raw suppliers

Chemical Property of 4-Methylbenzenethiol

Chemical Property:

Appearance/Colour:White or colorless solid melt
Vapor Pressure:0.601mmHg at 25°C
Melting Point:84-86 °C
Refractive Index:1.5420 (estimate)
Boiling Point:195 °C at 760 mmHg
PKA:pK1:6.52 (25°C)
Flash Point:69.5 °C
PSA：38.80000
Density:1.049 g/cm³
LogP:2.28370
Storage Temp.:Store at RT.
Solubility.:Chloroform (Slightly), Methanol (Slightly)
Water Solubility.:slightly soluble
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:0
Exact Mass:124.03467143
Heavy Atom Count:8
Complexity:62.8

Purity/Quality:

99.5% ^*data from raw suppliers

p-Thiocresol, 98% ^*data from reagent suppliers

Safty Information:

Pictogram(s): XnXi
Hazard Codes: Xn:Harmful;
Statements: R20/21/22:; R36/37/38:;
Safety Statements: S26:; S36/37/39:;

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Chemical Classes:Other Classes -> Sulfur Compounds
Canonical SMILES:CC1=CC=C(C=C1)S
Uses p-Thiocresol is used as a pharmaceutical intermediate.

Technology Process of 4-Methylbenzenethiol

There total 224 articles about 4-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: 78.0%

: 122948-71-4
1-<α-(p-tolylsulfonyl)ethyl>-4-methoxybenzene

: 75-16-1
methylmagnesium bromide

: 613-33-2
(4,4'-dimethyl-1,1'-biphenyl)

: 644-08-6
4-Methylbiphenyl

: 623-13-2
4-methylphenyl methylsulfide

: 1712-69-2
1-isopropenyl-4-methoxybenzene

: 4132-48-3
1-methoxy-4-(1-methylethyl)benzene

: 106-45-6
para-thiocresol

Guidance literature:: With bis(triphenylphosphine)nickel(II) diiodide; tricyclohexylphosphine; phenylboronic acid; In tetrahydrofuran; at 70 ℃; Inert atmosphere;
DOI:10.1002/anie.201205969