S-(4-Acetamidophenyl) dimethylcarbamothioate

Base Information

Chemical Name:S-(4-Acetamidophenyl) dimethylcarbamothioate
CAS No.:13512-00-0
Molecular Formula:C11H14N2O2S
Molecular Weight:238.31
Hs Code.:
NSC Number:171494
DSSTox Substance ID:DTXSID40305703
Wikidata:Q82052425
Mol file:13512-00-0.mol

Synonyms:13512-00-0;NSC171494;S-(4-Acetamidophenyl) dimethylcarbamothioate;SCHEMBL9713576;DTXSID40305703;NSC-171494

Suppliers and Price of S-(4-Acetamidophenyl) dimethylcarbamothioate

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

Total 5 raw suppliers

Chemical Property of S-(4-Acetamidophenyl) dimethylcarbamothioate

Chemical Property:

Boiling Point:°Cat760mmHg
Flash Point:°C
Density:1.22g/cm³
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:238.07759887
Heavy Atom Count:16
Complexity:261

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)NC1=CC=C(C=C1)SC(=O)N(C)C

Technology Process of S-(4-Acetamidophenyl) dimethylcarbamothioate

There total 5 articles about S-(4-Acetamidophenyl) dimethylcarbamothioate 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%

: 13522-65-1
O-(4-acetamidophenyl) N,N-dimethylcarbamothioate

: 13512-00-0
S-(4-acetamidophenyl) N,N-dimethylcarbamothioate

Guidance literature:: With ammonium cerium (IV) nitrate; In dimethyl sulfoxide; at 25 ℃; for 24h; Inert atmosphere;
DOI:10.1021/acs.joc.8b01800

Reference yield: 71.0%

: 79-44-7
N,N-Dimethylcarbamoyl chloride

: 1126-81-4
4-acetamidothiophenol

: 13512-00-0
S-(4-acetamidophenyl) N,N-dimethylcarbamothioate

Guidance literature:: 4-acetamidothiophenol; With sodium hydride; In N,N-dimethyl-formamide; mineral oil; at 0 - 5 ℃; for 0.5h; Inert atmosphere; Schlenk technique;

N,N-Dimethylcarbamoyl chloride; In N,N-dimethyl-formamide; at 20 ℃; Inert atmosphere; Schlenk technique;
DOI:10.1021/acs.joc.0c00831

Reference yield:

: 103-90-2,8055-08-1
4-acetaminophenol

: 13512-00-0
S-(4-acetamidophenyl) N,N-dimethylcarbamothioate

Guidance literature:: Multi-step reaction with 2 steps

1: 1,4-diaza-bicyclo[2.2.2]octane / N,N-dimethyl-formamide / 16 h / 20 °C / Inert atmosphere

2: 2,4,6-tris(4-methylphenyl)pyrylium tetrafluoroborate / acetonitrile / 24 h / Inert atmosphere; Irradiation

With 1,4-diaza-bicyclo[2.2.2]octane; 2,4,6-tris(4-methylphenyl)pyrylium tetrafluoroborate; In N,N-dimethyl-formamide; acetonitrile; 2: |Newman-Kwart Rearrangement;
DOI:10.1021/jacs.5b11800