1-Isobutyl-3-phenyl-thiourea

Base Information

Chemical Name:1-Isobutyl-3-phenyl-thiourea
CAS No.:16275-53-9
Molecular Formula:C11H16 N2 S
Molecular Weight:208.327
Hs Code.:2930909090
European Community (EC) Number:665-757-7
NSC Number:131984
DSSTox Substance ID:DTXSID30357498
Nikkaji Number:J122.235J
Mol file:16275-53-9.mol

Synonyms:16275-53-9;1-isobutyl-3-phenylthiourea;1-Isobutyl-3-phenyl-thiourea;1-(2-methylpropyl)-3-phenylthiourea;Urea, 1-isobutyl-3-phenyl-2-thio-;N-Phenyl-N'-isobutylthiourea;Thiourea, N-(2-methylpropyl)-N'-phenyl-;N-(2-Methylpropyl)-N/'-phenylthiourea;NSC131984;SCHEMBL5450124;N-Isobutyl-N'-phenylthiourea #;SCHEMBL10784241;DTXSID30357498;GYLIWROUPTWSLA-UHFFFAOYSA-N;HMS1588M08;STK138344;AKOS003705627;NSC-131984;CS-0358189;SR-01000239998;SR-01000239998-1

Suppliers and Price of 1-Isobutyl-3-phenyl-thiourea

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

Crysdot
1-Isobutyl-3-phenylthiourea 95+%
10g
$ 348.00

Total 8 raw suppliers

Chemical Property of 1-Isobutyl-3-phenyl-thiourea

Chemical Property:

Vapor Pressure:0.00178mmHg at 25°C
Boiling Point:292.9°Cat760mmHg
PKA:12.69±0.70(Predicted)
Flash Point:131°C
PSA：56.15000
Density:1.101g/cm³
LogP:3.09290
XLogP3:2.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:208.10341969
Heavy Atom Count:14
Complexity:174

Purity/Quality:

98%min ^*data from raw suppliers

1-Isobutyl-3-phenylthiourea 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)CNC(=S)NC1=CC=CC=C1

Technology Process of 1-Isobutyl-3-phenyl-thiourea

There total 2 articles about 1-Isobutyl-3-phenyl-thiourea 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: 95.0%

: 78-81-9
isobutylamine

: 103-72-0
phenyl isothiocyanate

: 16275-53-9
1-(2-methylpropyl)-3-phenylthiourea

Guidance literature:: In toluene; at 20 ℃; for 1h;
DOI:10.1016/j.ejmech.2012.06.052

Reference yield:

: 62-53-3
aniline

: 16275-53-9
1-(2-methylpropyl)-3-phenylthiourea

Guidance literature:: Multi-step reaction with 2 steps

1: CaCO₃ / CH₂Cl₂; H₂O / 25 - 40 °C

2: ethanol / 2 h / Heating

With calcium carbonate; In ethanol; dichloromethane; water;
DOI:10.1016/0223-5234(90)90169-4