1-Cinnamylidenethiosemicarbazide

Base Information

• Chemical Name: 1-Cinnamylidenethiosemicarbazide
• CAS No.: 5351-70-2
• Molecular Formula: C26H25N3O5
• Molecular Weight: 205.283
• Hs Code.: 2930909090
• Mol file: 5351-70-2.mol

Synonyms:1-Cinnamylidenethiosemicarbazide;NSC 706;Semicarbazide, 1-cinnamylidene-3-thio-;AI3-22963;1-((3-Phenyl-2-propenylidene)amino)-2-thiourea;1-(3-Phenyl-2-propenylidene)-3-thiosemicarbazide;Semicarbazide, 1-(3-phenyl-2-propenylidene)-3-thio-;Hydrazinecarbothioamide, 2-(3-phenyl-2-propenylidene)-;C10H11N3S;5351-70-2;LS-144873

Chemical Property of 1-Cinnamylidenethiosemicarbazide

Chemical Property:

• Vapor Pressure: 1.86E-05mmHg at 25°C
• Melting Point: 139 °C
• Boiling Point: 363°Cat760mmHg
• PKA: 11.61±0.70(Predicted)
• Flash Point: 173.3°C
• PSA: 82.50000
• Density: 1.14g/cm³
• LogP: 2.61000
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 205.06736854
• Heavy Atom Count: 14
• Complexity: 230

Purity/Quality:

99%, ^*data from raw suppliers

Cinnamaldehyde thiosemicarbazone 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C=CC=NNC(=S)N
• Isomeric SMILES: C1=CC=C(C=C1)/C=C\C=N\NC(=S)N

Technology Process of 1-Cinnamylidenethiosemicarbazide

There total 3 articles about 1-Cinnamylidenethiosemicarbazide 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: 100.0%

thiosemicarbazide (79-19-6) + 3-phenyl-propenal (104-55-2) → cinnamaldehyde thiosemicarbazone (5351-70-2)

Guidance literature:

With acetic acid; In water; for 0.5h; Reflux;

DOI:10.1134/S107042801903028X

Reference yield: 70.0%

thiosemicarbazide hydrochloride (4346-94-5) + 3-phenyl-propenal (104-55-2) → cinnamaldehyde thiosemicarbazone (5351-70-2)

Guidance literature:

With hydrogenchloride; In ethanol; water;

DOI:10.1007/s00044-012-0208-6

Reference yield:

→ cinnamaldehyde thiosemicarbazone (5351-70-2)

Guidance literature:

upstream raw materials:

thiosemicarbazide

3-phenyl-propenal

thiosemicarbazide hydrochloride

Downstream raw materials:

3-phenyl-2-propenal-[4-(4-chlorophenyl)-2-thiazolyl]hydrazone

Refernces

• 1、 Ghalib. "Green and Facile Synthesis of New 3-(Phenylallylideneamino)indeno[1,2-d]imidazoles". . p. 412 - 414. Retrieved 2019/05/14.
• 2、 Lino, Cleudiomar Inácio,Gon?alves de Souza, Igor,Santos Teixeira, Iasmin Natália,Maltarollo, Vinícius Gon?alves,de Oliveira, Renata Barbosa,Borelli, Beatriz Martins,Silvério Matos, Thelma Tirone,Johann, Susana,Ramos, Jonas Pereira,Maria de Souza Fagundes, Elaine,de Oliveira Fernandes, Philipe. "Synthesis, molecular modeling studies and evaluation of antifungal activity of a novel series of thiazole derivatives". . p. 248 - 260. Retrieved 2019/03/12.