1-(4-(Methylsulfonyl)phenyl)thiourea

Base Information

• Chemical Name: 1-(4-(Methylsulfonyl)phenyl)thiourea
• CAS No.: 84783-67-5
• Molecular Formula: C8H10 N2 O2 S2
• Molecular Weight: 230.312
• Hs Code.: 2930909090
• European Community (EC) Number: 284-104-3
• UNII: HP388X4TSB
• DSSTox Substance ID: DTXSID60233812
• Nikkaji Number: J333.129F
• Wikidata: Q83115472
• Mol file: 84783-67-5.mol

Synonyms:1-(4-(methylsulfonyl)phenyl)thiourea;84783-67-5;(4-Methanesulfonyl-phenyl)-thiourea;(4-methylsulfonylphenyl)thiourea;1-(4-Methylsulphonylphenyl)thiourea;EINECS 284-104-3;(4-methanesulfonylphenyl)thiourea;N-[4-(Methylsulfonyl)phenyl]thiourea;HP388X4TSB;F2158-0196;SCHEMBL11245631;C8H10N2O2S2;DTXSID60233812;1-(4-Methylsulfonylphenyl)thiourea;C8-H10-N2-O2-S2;MFCD10693660;AKOS005205810;Thiourea, [4-(methylsulfonyl)phenyl]-;AS-76300;Thiourea, N-[4-(methylsulfonyl)phenyl]-;Urea, 1-[p-(methylsulfonyl)phenyl]-2-thio-;D97522;EN300-238774;A863983

Chemical Property of 1-(4-(Methylsulfonyl)phenyl)thiourea

Chemical Property:

• Vapor Pressure: 8.42E-08mmHg at 25°C
• Boiling Point: 435.9°C at 760 mmHg
• Flash Point: 217.4°C
• PSA: 117.20000
• Density: 1.445g/cm³
• LogP: 2.62010
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 230.01836991
• Heavy Atom Count: 14
• Complexity: 300

Purity/Quality:

97% ^*data from raw suppliers

(4-Methanesulfonyl-phenyl)-thiourea ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)C1=CC=C(C=C1)NC(=S)N

Technology Process of 1-(4-(Methylsulfonyl)phenyl)thiourea

There total 4 articles about 1-(4-(Methylsulfonyl)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:

1-isothiocyanato-4-methanesulfonyl-benzene (15863-56-6) → (4-methanesulfonyl-phenyl)-thiourea (84783-67-5)

Guidance literature:

With ammonia;

DOI:10.1021/ja01542a043

Reference yield:

4-methanesulfonylphenylamine (5470-49-5) + ammonium thiocyanate (1147550-11-5) → (4-methanesulfonyl-phenyl)-thiourea (84783-67-5)

Guidance literature:

With hydrogenchloride; sodium hydrogensulfite; at 90 ℃; for 14h;

DOI:10.1021/jm980202u

Reference yield:

4-methanesulfonylphenylamine (5470-49-5) → (4-methanesulfonyl-phenyl)-thiourea (84783-67-5)

Guidance literature:

Multi-step reaction with 2 steps

1: SnCl₂

2: NH₃

With ammonia; tin(ll) chloride;

DOI:10.1021/ja01542a043

upstream raw materials:

1-isothiocyanato-4-methanesulfonyl-benzene

4-methanesulfonylphenylamine

ammonium thiocyanate

Downstream raw materials:

2-amino-6-(methylsulfonyl)benzothiazole

(4-methanesulfonyl-phenyl)-(4-methyl-thiazol-2-yl)-amine