2-acetyl-N-phenylhydrazinecarbothioamide

Base Information

• Chemical Name: 2-acetyl-N-phenylhydrazinecarbothioamide
• CAS No.: 13153-00-9
• Molecular Formula: C9H11 N3 O S
• Molecular Weight: 209.272
• European Community (EC) Number: 687-828-1
• NSC Number: 338130
• DSSTox Substance ID: DTXSID10400592
• Nikkaji Number: J29.465I
• Mol file: 13153-00-9.mol

Synonyms:1-acetamido-3-phenylthiourea;2-acetyl-N-phenylhydrazinecarbothioamide;13153-00-9;1-acetyl-4-phenylthiosemicarbazide;NSC338130;ST50557383;SCHEMBL10189852;acetyl-4-phenyl thiosemicarbazide;DTXSID10400592;CCUVLDJKNQKTJS-UHFFFAOYSA-N;STK439737;AKOS003329942;NSC-338130;NCGC00332782-01;N-[(PHENYLCARBAMOTHIOYL)AMINO]ACETAMIDE;AB01326924-02

Chemical Property of 2-acetyl-N-phenylhydrazinecarbothioamide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.294g/cm³
• XLogP3: 1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 209.06228316
• Heavy Atom Count: 14
• Complexity: 214

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-acetyl-N-phenylhydrazinecarbothioamide

There total 4 articles about 2-acetyl-N-phenylhydrazinecarbothioamide 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: 91.0%

phenyl isothiocyanate (103-72-0) + acetic acid hydrazide (1068-57-1) → N4-phenyl acetic acid thio-semicarbazide (13153-00-9)

Guidance literature:

In ethanol; for 0.5h; Heating;

Reference yield:

acetyl chloride (75-36-5) + 4-Phenyl-3-thiosemicarbazide (5351-69-9) → N4-phenyl acetic acid thio-semicarbazide (13153-00-9)

Guidance literature:

With pyridine; In chloroform; at 0 - 25 ℃; for 3h;

DOI:10.1016/j.bmcl.2006.05.096

Reference yield:

acetic anhydride (108-24-7) + 4-Phenyl-3-thiosemicarbazide (5351-69-9) → N4-phenyl acetic acid thio-semicarbazide (13153-00-9)

Guidance literature:

upstream raw materials:

acetic anhydride

4-Phenyl-3-thiosemicarbazide

phenyl isothiocyanate

acetic acid hydrazide

Downstream raw materials:

N₁-(4,5-dioxo-3-phenyl-2-thioxo-1-imidazolidinyl)acetamide

1,2,4,5-tetrakis(5-methyl-4-phenyl-1,2,4-triazol-3-ylthiomethyl)benzene

5-methyl-N-phenyl-1,3,4-thiadiazol-2-amine

3-mercapto-5-methyl-4-phenyl-4H-1,2,4-triazole

Refernces

• 1、 Turcan-Trofin, Georgiana-Oana,Zaltariov, Mirela-Fernanda,Roman, Gheorghe,Shova, Sergiu,Vornicu, Nicoleta,Balan-Porcarasu, Mihaela,Isac, Dragos Lucian,Neamtu, Andrei,Cazacu, Maria. "Amphiphilic silicone-bridged bis-triazoles as effective, selective metal ligands and biologically active agents in lipophilic environment". . . Retrieved 2019.
• 2、 Zade, Mangesh N.,Katiya, Manish M.,Deotale, Vinod D.,Sontakke, Madhuri M.,Dhonde, Madhukar G.,Berad, Baliram N.. "Synthesis of thiazol, thiazinan, thiadiazin, thiazolidin, triazine, thioxo-pyrimidin and thioxo-imidazolidine by inter-intra molecular cyclization". . p. 1493 - 1500. Retrieved 2019/05/21.