Thiourea, N-(1-methylethyl)-N'-phenyl-

Base Information

• Chemical Name: Thiourea, N-(1-methylethyl)-N'-phenyl-
• CAS No.: 15093-36-4
• Molecular Formula: C10H14N2S
• Molecular Weight: 194.301
• Hs Code.: 2930909090
• European Community (EC) Number: 674-140-1
• NSC Number: 131983
• DSSTox Substance ID: DTXSID20164653
• Nikkaji Number: J117.380D
• Mol file: 15093-36-4.mol

Synonyms:15093-36-4;1-Isopropyl-3-phenylthiourea;Thiourea, N-(1-methylethyl)-N'-phenyl-;1-Isopropyl-3-phenyl-2-thiourea;1-phenyl-3-propan-2-ylthiourea;Urea, 1-isopropyl-3-phenyl-2-thio-;1-iso-propyl-3-phenyl-2-thiourea;N-Isopropyl-N'-phenylthiourea;N-Phenyl-N'-isopropylthiourea;NSC131983;1-Isopropyl-3-phenyl-thiourea;SCHEMBL5456616;N-Isopropyl-N'-phenylthiourea #;DTXSID20164653;LFBMRUOVWMEFFZ-UHFFFAOYSA-N;1-phenyl-3-(propan-2-yl)thiourea;AKOS003227576;FS-4707;NSC 131983;NSC-131983;CS-0358192;FT-0637179;F71832;A809088;J-008759

Chemical Property of Thiourea, N-(1-methylethyl)-N'-phenyl-

Chemical Property:

• Vapor Pressure: 0.00498mmHg at 25°C
• Melting Point: 98-100 °C
• Refractive Index: 1.619
• Boiling Point: 275.8 °C at 760 mmHg
• PKA: 12.67±0.70(Predicted)
• Flash Point: 120.6 °C
• PSA: 56.15000
• Density: 1.125 g/cm³
• LogP: 2.84530
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 194.08776963
• Heavy Atom Count: 13
• Complexity: 162

Purity/Quality:

97% ^*data from raw suppliers

1-Isopropyl-3-phenylthiourea 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)NC(=S)NC1=CC=CC=C1

Technology Process of Thiourea, N-(1-methylethyl)-N'-phenyl-

There total 5 articles about Thiourea, N-(1-methylethyl)-N'-phenyl- 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: 99.0%

phenyl isothiocyanate (103-72-0) + isopropylamine (75-31-0) → 1-isopropyl-3-phenylthiourea (15093-36-4)

Guidance literature:

In acetonitrile; at 25 ℃; for 0.166667h; Milling;

DOI:10.1039/c2gc35799b

Reference yield:

[3-Isopropyl-6-phenyl-3,6-dihydro-[1,3]thiazin-(2E)-ylidene]-phenyl-amine (80306-43-0) → (E)-3-phenylpropenal (14371-10-9) + 1-isopropyl-3-phenylthiourea (15093-36-4)

Guidance literature:

With hydrogenchloride; In ethanol; at 60 ℃; for 5h; Yield given. Yields of byproduct given;

DOI:10.1055/s-1981-29638

Reference yield:

phenyl isothiocyanate (103-72-0) → 1-isopropyl-3-phenylthiourea (15093-36-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 68 percent / benzene / 20 h / 80 °C

2: aq. HCl / ethanol / 5 h / 60 °C

With hydrogenchloride; In ethanol; benzene;

DOI:10.1055/s-1981-29638

upstream raw materials:

phenyl isothiocyanate

isopropylamine

[3-Isopropyl-6-phenyl-3,6-dihydro-[1,3]thiazin-(2E)-ylidene]-phenyl-amine

isopropyl isothiocyanate

Downstream raw materials:

cinnamanilide

N-(4-iodophenyl)-N’-isopropylurea

1-phenyl-3-i-propylurea

(E)-4-methoxyphenyl N'-isopropyl-N-phenylcarbamimidate