(4-Acetylphenyl)thiourea

Base Information

• Chemical Name: (4-Acetylphenyl)thiourea
• CAS No.: 71680-92-7
• Molecular Formula: C9H10 N2 O S
• Molecular Weight: 194.257
• European Community (EC) Number: 673-035-8
• NSC Number: 177013
• DSSTox Substance ID: DTXSID20370651
• Mol file: 71680-92-7.mol

Synonyms:(4-acetylphenyl)thiourea;71680-92-7;1-(4-Acetylphenyl)-2-thiourea;1-(4-Acetylphenyl)thiourea;4-acetylphenylthiourea;MFCD00041188;NSC177013;ETHYL10-BROMODECANOATE;SCHEMBL1880013;SCHEMBL18739883;DTXSID20370651;VVIUKYOXYSWCOF-UHFFFAOYSA-N;(4-acetylphenyl)thiourea, AldrichCPR;AKOS005206878;NSC-177013;?1-(4-ACETYLPHENYL)-2-THIOUREA;CS-0326553;FT-0604737;FT-0604738;A837284

Chemical Property of (4-Acetylphenyl)thiourea

Chemical Property:

• Vapor Pressure: 3.38E-05mmHg at 25°C
• Melting Point: 215 °C
• Boiling Point: 354.3 °C at 760 mmHg
• PKA: 12.39±0.70(Predicted)
• Flash Point: 168.1 °C
• PSA: 87.21000
• Density: 1.302 g/cm³
• LogP: 2.31800
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 194.05138412
• Heavy Atom Count: 13
• Complexity: 210

Purity/Quality:

99% ^*data from raw suppliers

(4-Acetylphenyl)thiourea ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 22-43
• Safety Statements: 22-36/37

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (4-Acetylphenyl)thiourea

There total 8 articles about (4-Acetylphenyl)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: 70.0%

ammonium thiocyanate + p-aminobenzophenone (99-92-3) → 1-(4-acetylphenyl)-2-thiourea (71680-92-7)

Guidance literature:

With hydrogenchloride; In water; Reflux;

Reference yield:

1-(4-isothiocyanatophenyl)ethanone (2131-57-9) → 1-(4-acetylphenyl)-2-thiourea (71680-92-7)

Guidance literature:

With ammonia;

Reference yield:

ammonium thiocyanate (1147550-11-5) + p-aminobenzophenone (99-92-3) → 1-(4-acetylphenyl)-2-thiourea (71680-92-7)

Guidance literature:

With hydrogenchloride; In water; at 100 ℃; for 16h;

upstream raw materials:

1-(4-isothiocyanatophenyl)ethanone

p-aminobenzophenone

C₆H₁₅N*C₉H₉NOS₂

ammonium thiocyanate

Downstream raw materials:

C₃₄H₃₂N₆O₆S₃

C₂₀H₁₇ClN₂O₃S

C₂₀H₁₈N₂O₃S

C₁₁H₁₀N₂O₂S

Refernces

• 1、 Kuotsu, Neivotsonuo Bernadette,Jamir, Latonglila,Phucho, Tovishe,Sinha, Upasana Bora. "A novel one-pot synthesis of isothiocyanates and cyanamides from dithiocarbamate salts using environmentally benign reagent tetrapropylammonium tribromide". . p. 832 - 841. Retrieved 2018/01/17.
• 2、 Jamir, Latonglila,Sinha, Upasana Bora,Nath, Jayashree,Patel, Bhisma K.. "Environmentally benign one-pot synthesis of cyanamides from dithiocarbamates using I2 and H2O2". experimental part. p. 951 - 958. Retrieved 2012/02/01.