(3-(Methylthio)phenyl)thiourea

Base Information

• Chemical Name: (3-(Methylthio)phenyl)thiourea
• CAS No.: 71205-41-9
• Molecular Formula: C₈H₁₀N₂S₂
• Molecular Weight: 198.313
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID3072290
• Nikkaji Number: J446.724H
• ChEMBL ID: CHEMBL1404667
• Mol file: 71205-41-9.mol

Synonyms:71205-41-9;1-[3-(Methylthio)phenyl]-2-thiourea;(3-(Methylthio)phenyl)thiourea;N-[3-(methylthio)phenyl]thiourea;(3-methylsulfanylphenyl)thiourea;[3-(Methylthio)phenyl]thiourea;[3-(methylsulfanyl)phenyl]thiourea;Thiourea, (3-(methylthio)phenyl)-;Thiourea, N-(3-(methylthio)phenyl)-;Thiourea, [3-(methylthio)phenyl]-;MLS000861654;SCHEMBL651726;CHEMBL1404667;DTXSID3072290;HMS2809E19;AKOS009156176;NCGC00246694-01;SMR000460438;A923081

Chemical Property of (3-(Methylthio)phenyl)thiourea

Chemical Property:

• Vapor Pressure: 0.000167mmHg at 25°C
• Boiling Point: 330.4°C at 760 mmHg
• PKA: 12.86±0.70(Predicted)
• Flash Point: 153.6°C
• PSA: 99.98000
• Density: 1.29g/cm³
• LogP: 2.85770
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 198.02854067
• Heavy Atom Count: 12
• Complexity: 161

Purity/Quality:

97% ^*data from raw suppliers

1-[3-(Methylthio)phenyl]-2-thiourea 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=CC=CC(=C1)NC(=S)N

Technology Process of (3-(Methylthio)phenyl)thiourea

There total 4 articles about (3-(Methylthio)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: 88.0%

3-methylmercaptoaniline (1783-81-9) + Benzoyl isothiocyanate (532-55-8) → 1-(3-(methylthio)phenyl)thiourea (71205-41-9)

Guidance literature:

3-methylmercaptoaniline; Benzoyl isothiocyanate; In tetrahydrofuran; at 20 ℃;

With sodium hydroxide; In ethanol; at 40 ℃;

DOI:10.2174/1573406416666200306114300

Reference yield:

C15H14N2OS2 → 1-(3-(methylthio)phenyl)thiourea (71205-41-9)

Guidance literature:

With sodium hydroxide; In acetone; at 90 ℃; for 0.333333h;

Reference yield:

C15H14N2OS2 → 1-(3-(methylthio)phenyl)thiourea (71205-41-9)

Guidance literature:

With water; sodium hydroxide; In ethanol; Reflux;

DOI:10.1016/j.ejmech.2015.05.030

upstream raw materials:

3-methylmercaptoaniline

Benzoyl isothiocyanate