Acetamide, N-[(phenylamino)thioxomethyl]-

Base Information

• Chemical Name: Acetamide, N-[(phenylamino)thioxomethyl]-
• CAS No.: 1132-44-1
• Molecular Formula: C9H10 N2 O S
• Molecular Weight: 194.257
• Hs Code.: 2930909090
• European Community (EC) Number: 634-535-1
• NSC Number: 131967
• DSSTox Substance ID: DTXSID80357509
• Nikkaji Number: J117.381B
• ChEMBL ID: CHEMBL2236332
• Mol file: 1132-44-1.mol

Synonyms:N-(phenylcarbamothioyl)acetamide;1132-44-1;Acetamide, N-[(phenylamino)thioxomethyl]-;1-Acetyl-3-phenylthiourea;Urea, 1-acetyl-3-phenyl-2-thio-;3-ACETYL-1-PHENYLTHIOUREA;NSC131967;N-Acetyl-N'-phenylthiourea #;1-acetyl-3-phenyl-2-thiourea;OSM-S-53;SCHEMBL5458065;CHEMBL2236332;1-acetyl-3-(2-phenyl)thiourea;DTXSID80357509;DBOBDMZHSHKLSJ-UHFFFAOYSA-N;BDBM50486914;AKOS002161060;NSC-131967

Chemical Property of Acetamide, N-[(phenylamino)thioxomethyl]-

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 73.22000
• Density: 1.271g/cm³
• LogP: 1.98340
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 194.05138412
• Heavy Atom Count: 13
• Complexity: 200

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-ACETYL-3-PHENYL-2-THIOUREA Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Acetamide, N-[(phenylamino)thioxomethyl]-

There total 18 articles about Acetamide, N-[(phenylamino)thioxomethyl]- 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: 86.0%

aniline (62-53-3) + acetyl isothiocyanate (13250-46-9) → 1-acetyl-3-phenylthiourea (1132-44-1)

Guidance literature:

In acetone; at 20 ℃; for 4h;

DOI:10.1039/d1dt02611a

Reference yield:

aniline (62-53-3) + acetyl isothiocyanate (13250-46-9) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → thiocyanic acid (463-56-9) + 1-acetyl-3-phenylthiourea (1132-44-1) + Acetanilid (103-84-4)

Guidance literature:

DOI:10.1111/1468-0262.00168

Reference yield:

ammonium thiocyanate (1147550-11-5) + acetyl chloride (75-36-5) + aniline (62-53-3) → 1-acetyl-3-phenylthiourea (1132-44-1)

Guidance literature:

ammonium thiocyanate; acetyl chloride; With PEG-400; In dichloromethane; at 20 ℃; for 3h;

aniline; In dichloromethane; at 20 ℃; for 2h;

DOI:10.1016/j.cclet.2015.08.001

upstream raw materials:

4,6-dimethyl-1-phenyl-[1,3,5]triazinane-2-thione

acetic anhydride

sodium ethanolate

S-acetyl-N-phenyl-isothiourea; hydrochloride

Downstream raw materials:

2-Acetylaminobenzothiazole

2-phenylaminothiazol-4-one

N-(4-methyl-3-phenyl-3H-thiazol-2-ylidene)-acetamide

1-(4-methyl-2-(phenylamino)-1,3-thiazol-5-yl)ethan-1-one