S-tert-Butyl benzenecarbothioate

Base Information

Chemical Name:S-tert-Butyl benzenecarbothioate
CAS No.:13291-44-6
Molecular Formula:C11H14OS
Molecular Weight:194.298
Hs Code.:
DSSTox Substance ID:DTXSID80500250
Wikidata:Q82351704

Synonyms:S-tert-Butyl benzenecarbothioate;13291-44-6;S-t-butyl thiobenzoate;S-(t-butyl) benzothioate;SCHEMBL2774081;DTXSID80500250;DGJRGQJQZVPKOR-UHFFFAOYSA-N;S-(tert-butyl) benzenecarbothioate;thiobenzoic acid S-tert-butyl ester

Suppliers and Price of S-tert-Butyl benzenecarbothioate

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 1 raw suppliers

Chemical Property of S-tert-Butyl benzenecarbothioate

Chemical Property:

XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:194.07653624
Heavy Atom Count:13
Complexity:175

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of S-tert-Butyl benzenecarbothioate

There total 26 articles about S-tert-Butyl benzenecarbothioate 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: 100.0%

: 75-66-1
2-methylpropan-2-thiol

: 93-97-0
benzoic acid anhydride

: 13291-44-6
S-tert-butyl benzothioate

Guidance literature:: benzoic acid anhydride; With molybdenium(VI) dioxodichloride; In dichloromethane; at 20 ℃; for 0.5h;

2-methylpropan-2-thiol; In dichloromethane; at 20 ℃; for 26h;
DOI:10.1021/jo048363v

Reference yield: 95.0%

: 591-50-4
iodobenzene

: 201230-82-2
carbon monoxide

: 29364-29-2
sodium tert-butyl thiolate

: 13291-44-6
S-tert-butyl benzothioate

Guidance literature:: With bis-triphenylphosphine-palladium(II) chloride; 2-methylpropan-2-thiol; In tetrahydrofuran; at 70 ℃; for 24h; under 7600.51 Torr; Autoclave;
DOI:10.1021/ja909962f