Benzenecarbothioic acid, 4-(1,1-dimethylethyl)-s-(methyl-d3) ester

Base Information

Chemical Name:Benzenecarbothioic acid, 4-(1,1-dimethylethyl)-s-(methyl-d3) ester
CAS No.:82505-06-4
Molecular Formula:C₁₂H₁₆OS
Molecular Weight:211.301
Hs Code.:
DSSTox Substance ID:DTXSID301002745
Wikidata:Q82997003
Mol file:82505-06-4.mol

Synonyms:82505-06-4;Benzenecarbothioic acid, 4-(1,1-dimethylethyl)-s-(methyl-d3) ester;DTXSID301002745;S-(~2~H_3_)Methyl 4-tert-butylbenzene-1-carbothioate

Suppliers and Price of Benzenecarbothioic acid, 4-(1,1-dimethylethyl)-s-(methyl-d3) ester

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 3 raw suppliers

Chemical Property of Benzenecarbothioic acid, 4-(1,1-dimethylethyl)-s-(methyl-d3) ester

Chemical Property:

Vapor Pressure:0.00284mmHg at 25°C
Boiling Point:285.2°C at 760 mmHg
Flash Point:113.4°C
PSA：42.37000
Density:1.048g/cm³
LogP:3.48730
XLogP3:4.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:211.11101654
Heavy Atom Count:14
Complexity:197

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)(C)C1=CC=C(C=C1)C(=O)SC
Isomeric SMILES:[2H]C([2H])([2H])SC(=O)C1=CC=C(C=C1)C(C)(C)C

Technology Process of Benzenecarbothioic acid, 4-(1,1-dimethylethyl)-s-(methyl-d3) ester

There total 2 articles about Benzenecarbothioic acid, 4-(1,1-dimethylethyl)-s-(methyl-d3) ester 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: 91.0%

: 865-50-9
iodomethane-d3

: 72207-52-4
4-tert-Butyl-thiobenzoesaeure

: 82505-06-4
4-tert-Butyl-thiobenzoesaeure-S--methylester

Guidance literature:: With potassium hydroxide; for 1h;

Reference yield:

: 1710-98-1
p-tert-butyl benzoyl chloride

: 82505-06-4
4-tert-Butyl-thiobenzoesaeure-S--methylester

Guidance literature:: Multi-step reaction with 2 steps

1: 98 percent / H₂S/KOH / aq. ethanol / 1 h / 5 - 10 °C

2: 91 percent / 20percent aq. KOH / 1 h

With potassium hydroxide; hydrogen sulfide; In ethanol;