4-Methylbenzenecarbothioamide

Base Information

Chemical Name:4-Methylbenzenecarbothioamide
CAS No.:2362-62-1
Molecular Formula:C8H9 N S
Molecular Weight:151.232
Hs Code.:2930909090
European Community (EC) Number:674-733-5
DSSTox Substance ID:DTXSID20178295
Nikkaji Number:J403.985H
ChEMBL ID:CHEMBL285350
Mol file:2362-62-1.mol

Synonyms:4-methylthiobenzamide;4-PMTB

Suppliers and Price of 4-Methylbenzenecarbothioamide

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

TRC
4-Methylbenzene-1-carbothioamide
1g
$ 45.00

SynQuest Laboratories
4-Methylbenzene-1-carbothioamide
25 g
$ 304.00

SynQuest Laboratories
4-Methylbenzene-1-carbothioamide
100 g
$ 904.00

SynQuest Laboratories
4-Methylbenzene-1-carbothioamide
5 g
$ 136.00

Sigma-Aldrich
4-Methylbenzenethioamide 96%
1g
$ 46.10

Crysdot
4-Methylbenzothioamide 95+%
500g
$ 941.00

Cayman Chemical
thio-p-Toluamide ≥98%
1g
$ 43.00

Cayman Chemical
thio-p-Toluamide ≥98%
500mg
$ 23.00

Cayman Chemical
thio-p-Toluamide ≥98%
250mg
$ 12.00

Cayman Chemical
thio-p-Toluamide ≥98%
5g
$ 192.00

Total 50 raw suppliers

Chemical Property of 4-Methylbenzenecarbothioamide

Chemical Property:

Appearance/Colour:yellow powder
Vapor Pressure:0.0134mmHg at 25°C
Melting Point:163-168 °C
Refractive Index:1.633
Boiling Point:258.9 °C at 760 mmHg
PKA:12.82±0.29(Predicted)
Flash Point:110.4 °C
PSA：58.11000
Density:1.143 g/cm₃
LogP:2.32950
Storage Temp.:Sealed in dry,Room Temperature
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:151.04557046
Heavy Atom Count:10
Complexity:125

Purity/Quality:

99%, ^*data from raw suppliers

4-Methylbenzene-1-carbothioamide ^*data from reagent suppliers

Safty Information:

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

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=C(C=C1)C(=S)N
Description thio-p-Toluamide is a cyclic thioamide building block used in drug discovery chemistry.
Uses 4-Methyl thiobenza mide is a cyclic thioamide building block used in drug discovery chemistry[Cayman Chemical]

Technology Process of 4-Methylbenzenecarbothioamide

There total 20 articles about 4-Methylbenzenecarbothioamide 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: 98.0%

: 104-85-8
para-methylbenzonitrile

: 2362-62-1
4-methylthiobenzamide

Guidance literature:: With diammonium sulfide; In methanol; at 80 ℃; for 0.25h; microwave irradiation;
DOI:10.1055/s-2004-834812

Reference yield: 96.0%

: 619-55-6
para-methylbenzamide

: 2362-62-1
4-methylthiobenzamide

Guidance literature:: With tetraphosphorus decasulfide; In dichloromethane; for 6h; Inert atmosphere; Reflux;
DOI:10.1016/j.tet.2010.05.100

Reference yield: 89.0%

: 104-87-0
4-methyl-benzaldehyde

: 2362-62-1
4-methylthiobenzamide

Guidance literature:: With hydroxylamine hydrochloride; sodium acetate; O,O-Diethyl hydrogen phosphorodithioate; In 1,4-dioxane; at 80 - 90 ℃; for 2h; Inert atmosphere;
DOI:10.1016/j.tetlet.2012.10.089