4-tert-Butylthiobenzamide

Base Information

Chemical Name:4-tert-Butylthiobenzamide
CAS No.:57774-77-3
Molecular Formula:C11H15NS
Molecular Weight:193.313
Hs Code.:2930909090
European Community (EC) Number:674-679-2
DSSTox Substance ID:DTXSID40370517
Nikkaji Number:J1.595.721B
Wikidata:Q82157669
Mol file:57774-77-3.mol

Synonyms:57774-77-3;4-(tert-Butyl)benzothioamide;4-tert-Butylthiobenzamide;4-tert-butylbenzenecarbothioamide;4-tert-butylbenzene-1-carbothioamide;4-(tert-butyl)benzene-1-carbothioamide;4-tert-butylbenzothioamide;4-tert-butyl-thiobenzamide;SCHEMBL3370090;DTXSID40370517;HZODWYBXBKXJLB-UHFFFAOYSA-N;MFCD00052485;4-tert-Butylthiobenzamide, AldrichCPR;AKOS000133179;DS-1413;CS-0272570;FT-0616861;EN300-1833106;A831597

Suppliers and Price of 4-tert-Butylthiobenzamide

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-(tert-Butyl)benzothioamide
500mg
$ 90.00

SynQuest Laboratories
4-tert-Butylthiobenzamide 98%
1 g
$ 43.00

SynQuest Laboratories
4-tert-Butylthiobenzamide 98%
5 g
$ 168.00

Matrix Scientific
4-tert-Butylthiobenzamide 98%
5g
$ 168.00

Labseeker
4-(TERT-BUTYL)BENZENE-1-CARBOTHIOAMIDE 95
25g
$ 1550.00

Crysdot
4-(tert-Butyl)benzothioamide 95%
5g
$ 196.00

Biosynth Carbosynth
4-tert-Butylbenzenecarbothioamide
25 g
$ 625.00

Biosynth Carbosynth
4-tert-Butylbenzenecarbothioamide
10 g
$ 300.00

Biosynth Carbosynth
4-tert-Butylbenzenecarbothioamide
5 g
$ 200.00

Biosynth Carbosynth
4-tert-Butylbenzenecarbothioamide
2 g
$ 100.00

Total 30 raw suppliers

Chemical Property of 4-tert-Butylthiobenzamide

Chemical Property:

Appearance/Colour:yellow crystalline powder
Vapor Pressure:0.00231mmHg at 25°C
Melting Point:145-148 °C
Refractive Index:1.58
Boiling Point:288.7 °C at 760 mmHg
PKA:12.78±0.29(Predicted)
Flash Point:128.4 °C
PSA：58.11000
Density:1.058 g/cm³
LogP:3.31860
Storage Temp.:Refrigerator (+4°C)
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:193.09252066
Heavy Atom Count:13
Complexity:185

Purity/Quality:

98% ^*data from raw suppliers

4-(tert-Butyl)benzothioamide ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn
Statements: 36/37/38-22-43-36
Safety Statements: 37/39-26-36/37

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)C1=CC=C(C=C1)C(=S)N

Technology Process of 4-tert-Butylthiobenzamide

There total 5 articles about 4-tert-Butylthiobenzamide 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: 85.0%

: 4210-32-6
4-tert-butyl benzonitrile

: 57774-77-3
4-t-butyl phenyl thioamide

Guidance literature:: With 2,3,4,5,7,8,9,10-octahydropyrimido[1,2-a]azepin-1-ium acetate; sodiumsulfide nonahydrate; In neat (no solvent); at 20 ℃; for 2h; Green chemistry;
DOI:10.1039/c7ra11259a

Reference yield: 49.0%

: 56108-12-4
4-tert-butylbenzamide

: 57774-77-3
4-t-butyl phenyl thioamide

Guidance literature:: With tetraphosphorus decasulfide; sodium hydrogencarbonate; In toluene; at 90 ℃; for 1h;
DOI:10.1021/jm058056x

Reference yield:

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

: 57774-77-3
4-t-butyl phenyl thioamide

Guidance literature:: Multi-step reaction with 2 steps

1: ammonium hydroxide / water / 0 - 23 °C

2: Lawessons reagent / tetrahydrofuran

With Lawessons reagent; ammonium hydroxide; In tetrahydrofuran; water;
DOI:10.1021/jm401905m