1-Amino-1,3-diphenylthiourea

Base Information

• Chemical Name: 1-Amino-1,3-diphenylthiourea
• CAS No.: 13207-47-1
• Molecular Formula: C13H13 N3 S
• Molecular Weight: 243.332
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID60418667
• Nikkaji Number: J2.575.624J
• Mol file: 13207-47-1.mol

Synonyms:1-amino-1,3-diphenylthiourea;2,4-Diphenyl-3-thiosemicarbazide;13207-47-1;Hydrazinecarbothioamide, N,1-diphenyl-;2,4-Diphenylthiosemicarbazid;2,4-diphenylthiosemicarbazide;SCHEMBL2230702;DTXSID60418667;AIONMUKAPQSLHW-UHFFFAOYSA-N;N,1-Diphenylhydrazinecarbothioamide;N,1-Diphenylhydrazinecarbothioamide #;FT-0753086

Chemical Property of 1-Amino-1,3-diphenylthiourea

Chemical Property:

• Boiling Point: 383.5±25.0 °C(Predicted)
• PKA: 12.28±0.70(Predicted)
• PSA: 80.42000
• Density: 1.326±0.06 g/cm3(Predicted)
• LogP: 3.68450
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 243.08301860
• Heavy Atom Count: 17
• Complexity: 245

Purity/Quality:

97% ^*data from raw suppliers

2,4-DIPHENYL-3-THIOSEMICARBAZIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC(=S)N(C2=CC=CC=C2)N

Technology Process of 1-Amino-1,3-diphenylthiourea

There total 5 articles about 1-Amino-1,3-diphenylthiourea 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:

phenyl isothiocyanate (103-72-0) + phenylhydrazine (100-63-0) → 2,4-diphenyl-thiosemicarbazide (13207-47-1) + 1,4-diphenylthiosemicarbazide (1768-59-8)

Guidance literature:

With diethyl ether;

Reference yield:

ethanol (64-17-5) + phenyl isothiocyanate (103-72-0) + acetic acid (64-19-7,77671-22-8) + phenylhydrazine (100-63-0) → 2,4-diphenyl-thiosemicarbazide (13207-47-1)

Guidance literature:

at 50 ℃;

Reference yield:

formic acid (64-18-6) + ethanol (64-17-5) + phenyl isothiocyanate (103-72-0) + phenylhydrazine (100-63-0) → 2,4-diphenyl-thiosemicarbazide (13207-47-1)

Guidance literature:

at 50 ℃;

upstream raw materials:

ethanol

phenyl isothiocyanate

acetic acid

phenylhydrazine

Downstream raw materials:

4-phenyl-5-phenylimino-[1,3,4]thiadiazolidin-2-one

1,4-diphenyl-5-thioxo-1,2,4-triazolidine-3-one

1,4-diphenylthiosemicarbazide

1-acetyl-2,4-diphenyl thiosemicarbazide