S-(p-Tolyl) p-nitrothiobenzoate

Base Information

Chemical Name:S-(p-Tolyl) p-nitrothiobenzoate
CAS No.:28122-84-1
Molecular Formula:C14H11 N O3 S
Molecular Weight:273.312
Hs Code.:2930909090
European Community (EC) Number:653-086-2
DSSTox Substance ID:DTXSID50182401
Nikkaji Number:J42.035B
Wikidata:Q83053078
Mol file:28122-84-1.mol

Synonyms:S-(p-Tolyl) p-nitrothiobenzoate;28122-84-1;BRN 2507646;BENZOIC ACID, p-NITROTHIO-, S-(p-TOLYL) ESTER;S-(4-Methylphenyl) 4-nitrobenzenecarbothioate;Benzoic acid, p-nitrothio-, S-p-tolyl ester;4-09-00-01399 (Beilstein Handbook Reference);Benzenecarbothioic acid, 4-nitro-, S-(4-methylphenyl) ester;DTXSID50182401;LMFTVBRXQOQHQC-UHFFFAOYSA-N;S-(p-Tolyl) 4-nitrothiolbenzoate;AKOS024333282;p-Nitrothiobenzoic acid S-p-tolyl ester;4-Nitrothiobenzoic acid S-p-tolyl ester;4-Nitro-thiobenzoic acid S-p-tolyl ester;LS-38047;s-(4-Methylphenyl)4-nitrobenzenecarbothioate;S-(4-Methylphenyl) 4-nitrobenzenecarbothioate #

Suppliers and Price of S-(p-Tolyl) p-nitrothiobenzoate

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

Sigma-Aldrich
S-(P-TOLYL) 4-NITROTHIOLBENZOATE Aldrich
250mg
$ 144.00

American Custom Chemicals Corporation
S-(PARA-TOLYL)-4-NITROTHIOLBENZOATE 95.00%
5MG
$ 497.45

Total 2 raw suppliers

Chemical Property of S-(p-Tolyl) p-nitrothiobenzoate

Chemical Property:

Vapor Pressure:1.67E-07mmHg at 25°C
Boiling Point:427.2°Cat760mmHg
Flash Point:212.2°C
PSA：88.19000
Density:1.33g/cm³
LogP:4.35890
XLogP3:4.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:273.04596439
Heavy Atom Count:19
Complexity:326

Purity/Quality:

97% ^*data from raw suppliers

S-(P-TOLYL) 4-NITROTHIOLBENZOATE Aldrich ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=C(C=C1)SC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of S-(p-Tolyl) p-nitrothiobenzoate

There total 6 articles about S-(p-Tolyl) p-nitrothiobenzoate 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: 99.0%

: 122-04-3
4-nitro-benzoyl chloride

: 106-45-6
para-thiocresol

: 28122-84-1
4-nitrothiobenzoic acid S-p-tolyl ester

Guidance literature:: With 1,1,1,3',3',3'-hexafluoro-propanol; In neat (no solvent); at 20 ℃; for 0.0166667h; Green chemistry;
DOI:10.1016/j.tetlet.2017.04.004

Reference yield: 96.0%

: 106-45-6
para-thiocresol

: 62-23-7
4-nitro-benzoic acid

: 28122-84-1
4-nitrothiobenzoic acid S-p-tolyl ester

Guidance literature:: With Methanesulfonic anhydride; In neat (no solvent); at 80 ℃; for 4h; Reagent/catalyst; Solvent; Temperature;
DOI:10.1007/s12039-020-01871-5

Reference yield: 40.0%

: 106871-53-8
2-(p-tolylthio)-2-oxoacetic acid

: 586-78-7
para-nitrophenyl bromide

: 28122-84-1
4-nitrothiobenzoic acid S-p-tolyl ester

Guidance literature:: With tetrakis(triphenylphosphine) palladium⁽⁰⁾; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In N,N-dimethyl acetamide; at 25 ℃; for 8h; Inert atmosphere; Schlenk technique;
DOI:10.1021/acs.orglett.9b03701