3-(Trifluoromethyl)phenylthiourea

Base Information

Chemical Name:3-(Trifluoromethyl)phenylthiourea
CAS No.:1736-70-5
Molecular Formula:C8H7F3N2S
Molecular Weight:220.218
Hs Code.:2930909090
European Community (EC) Number:625-776-3
NSC Number:527802
DSSTox Substance ID:DTXSID20352856
Nikkaji Number:J265.467I
Mol file:1736-70-5.mol

Synonyms:1736-70-5;3-(Trifluoromethyl)phenylthiourea;1-(3-(Trifluoromethyl)phenyl)thiourea;[3-(Trifluoromethyl)phenyl]thiourea;1-[3-(trifluoromethyl)phenyl]thiourea;N-[3-(trifluoromethyl)phenyl]thiourea;Thiourea, [3-(trifluoromethyl)phenyl]-;Thiourea, N-[3-(trifluoromethyl)phenyl]-;1-[3-(Trifluoromethyl)phenyl]-2-thiourea;(3-(trifluoromethyl)phenyl)thiourea;NSC527802;3-trifluoromethylphenylthiourea;SCHEMBL230618;3-Trifluoromethylphenyl thiourea;3-(Trifluoromethyl)phenylthioure;AMY2362;DTXSID20352856;HMS1748D07;N-(m-trifluoromethylphenyl)thiourea;N-(3-trifluoromethylphenyl)thiourea;BBL100277;BENZENESULFONYLAMINO-ACETICACID;MFCD00041171;STL553842;AKOS000118296;NSC-527802;SB79859;Thiourea,N-[3-(trifluoromethyl)phenyl]-;[3-(Trifluoromethyl)phenyl]thiourea, 97%;CS-0074168;FT-0613954;EN300-12867;N-[3-(Trifluoromethyl)phenyl]thiourea, 97%;D85853;8R-0839;SR-01000065941;J-010932;SR-01000065941-1;Z85923139;F0341-0134

Suppliers and Price of 3-(Trifluoromethyl)phenylthiourea

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

SynQuest Laboratories
1-[3-(Trifluoromethyl)phenyl]-2-thiourea 97%
25 g
$ 160.00

Sigma-Aldrich
[3-(Trifluoromethyl)phenyl]thiourea 97%
5g
$ 79.50

Matrix Scientific
1-(3-(Trifluoromethyl)phenyl)thiourea 95%+
1g
$ 10.00

Matrix Scientific
1-(3-(Trifluoromethyl)phenyl)thiourea 95%+
5g
$ 29.00

Matrix Scientific
1-(3-(Trifluoromethyl)phenyl)thiourea 95%+
25g
$ 98.00

Labseeker
(3-Trifluoromethyl-phenyl)-thiourea 95
5g
$ 1183.00

Labseeker
(3-Trifluoromethyl-phenyl)-thiourea 95
2g
$ 1017.00

Crysdot
1-(3-(Trifluoromethyl)phenyl)thiourea 95+%
100g
$ 450.00

BLDpharm
1-(3-(Trifluoromethyl)phenyl)thiourea 98%
25g
$ 62.00

BLDpharm
1-(3-(Trifluoromethyl)phenyl)thiourea 98%
1g
$ 13.00

Total 38 raw suppliers

Chemical Property of 3-(Trifluoromethyl)phenylthiourea

Chemical Property:

Appearance/Colour:white solid
Melting Point:104-108 °C(lit.)
Boiling Point:264.6 °C at 760 mmHg
PKA:12.46±0.70(Predicted)
Flash Point:113.8 °C
PSA：70.14000
Density:1.457 g/cm³
LogP:3.13420
Storage Temp.:Sealed in dry,Room Temperature
XLogP3:2.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:220.02820389
Heavy Atom Count:14
Complexity:217

Purity/Quality:

99%, ^*data from raw suppliers

1-[3-(Trifluoromethyl)phenyl]-2-thiourea 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn,Xi
Statements: 20/22-36-43
Safety Statements: 26-37/39

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 3-(Trifluoromethyl)phenylthiourea

There total 9 articles about 3-(Trifluoromethyl)phenylthiourea 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: 94.5%

: 1840-19-3
1-isothiocyanato-3-trifluoromethyl-benzene

: 1736-70-5
3-trifluoromethylphenylthiourea

Guidance literature:: With ammonium hydroxide; In acetonitrile; at 25 ℃; for 15h; Time;

Reference yield: 92.0%

: 89069-94-3
N-{[3-(trifluoromethyl)phenyl]carbamothioyl}benzamide

: 1736-70-5
3-trifluoromethylphenylthiourea

Guidance literature:: With sodium hydroxide; In methanol; water; at 80 ℃; for 2h;

Reference yield:

: 98-16-8
3-trifluoromethylaniline

: 1736-70-5
3-trifluoromethylphenylthiourea

Guidance literature:: Multi-step reaction with 2 steps

1: 93 percent / acetone / 0.5 h / Heating

2: 87 percent / 5percent aq. NaOH / 0.42 h / 74 - 80 °C

With sodium hydroxide; In acetone;
DOI:10.1055/s-1988-27605