Acetophenone thiosemicarbazone

Base Information

• Chemical Name: Acetophenone thiosemicarbazone
• CAS No.: 2302-93-4
• Molecular Formula: C9H11 N3 S
• Molecular Weight: 193.272
• NSC Number: 713
• ChEMBL ID: CHEMBL74689
• Mol file: 2302-93-4.mol

Synonyms:Acetophenone thiosemicarbazone;2302-93-4;Acetophenone, thiosemicarbazone;[(E)-1-phenylethylideneamino]thiourea;2-(1-phenylethylidene)hydrazinecarbothioamide;[(E)-(1-phenylethylidene)amino]thiourea;132121-93-8;[(1-phenylethylidene)amino]thiourea;Hydrazinecarbothioamide, 2-(1-phenylethylidene)-;NSC 713;BRN 2048761;AI3-22960;1-(alpha-Methylbenzylidene)thiosemicarbizide;ACETOPHENONE THIOSEMICARBAZIDE;SEMICARBAZIDE, 1-(alpha-METHYLBENZYLIDENE)-3-THIO-;1-(.alpha.-Methylbenzylidene)thiosemicarbizide;(2E)-2-(1-phenylethylidene)hydrazinecarbothioamide;1903800-28-1;4-07-00-00631 (Beilstein Handbook Reference);Semicarbazide, 1-(.alpha.-methylbenzylidene)-3-thio-;ACETOPHENONE-THIOSEMICARBAZONE;WLN: SUYZMNUY1&R;acetophenonethiosemicar-bazone;MLS000779449;CHEMBL74689;phenyl(methyl)thiosemicarbazone;NSC713;SCHEMBL14436799;1-phenylethanone thiosemicarbazone;NSC-713;JMULZUQMMLAALR-YRNVUSSQSA-N;MFCD00022152;STL356067;STL454945;AKOS001268443;NCGC00246397-01;SMR000416181;(1E)-1-Phenylethanone thiosemicarbazone #;LS-144893;CS-0337860;EN300-59551;9P-061;Hydrazinecarbothioamide,2-(1-phenylethylidene)-;2-[(E)-1-phenylethylidene]-1-hydrazinecarbothioamide;Z49561600;N'-[(1E)-1-phenylethylidene]carbamohydrazonothioic acid

Chemical Property of Acetophenone thiosemicarbazone

Chemical Property:

• Vapor Pressure: 0.000275mmHg at 25°C
• Refractive Index: 1.5300 (estimate)
• Boiling Point: 322.7°Cat760mmHg
• Flash Point: 148.9°C
• PSA: 82.50000
• Density: 1.18g/cm³
• LogP: 2.33500
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 193.06736854
• Heavy Atom Count: 13
• Complexity: 207

Purity/Quality:

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

ACETOPHENONE THIOSEMICARBAZONE AldrichCPR ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Acetophenone thiosemicarbazone

There total 6 articles about Acetophenone thiosemicarbazone 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: 96.0%

thiosemicarbazide (79-19-6) + acetophenone (98-86-2) → acetophenonethiosemicarbazone (2302-93-4)

Guidance literature:

With hydrogenchloride; In methanol; for 5.7h; Heating / reflux;

Reference yield: 85.0%

thiosemicarbazide hydrochloride (4346-94-5) + acetophenone (98-86-2) → acetophenonethiosemicarbazone (2302-93-4)

Guidance literature:

With hydrogenchloride; In ethanol; water;

DOI:10.1007/s00044-012-0208-6

Reference yield:

acetophenone azine (56587-83-8) + thiosemicarbazide (79-19-6) → acetophenonethiosemicarbazone (2302-93-4)

Guidance literature:

With acetic acid;

upstream raw materials:

acetophenone azine

thiosemicarbazide

acetophenone

thiosemicarbazide hydrochloride

Downstream raw materials:

thiazolidine-2,4-dione-2-(1-phenyl-ethylLiDenehydrazone)

(1-phenyl-ethylidenehydrazinocarboximidoylmercapto)-acetic acid

thiosemicarbazide

N-(1-phenylethylidene)phenylhydrazine

Refernces

• 1、 Santhakumari,Ramamurthi,Vasuki,Yamin, Bohari M.,Bhagavannarayana. "Synthesis and spectral characterization of acetophenone thiosemicarbazone-A nonlinear optical material". . p. 369 - 375. Retrieved 2010.
• 2、 Haroon, Muhammad,De Barros Dias, Mabilly Cox Holanda,Santos, Aline Caroline da Silva,Pereira, Valéria Rêgo Alves,Freitas, Luiz Alberto Barros,Balbinot, Rodolfo Bento,Kaplum, Vanessa,Nakamura, Celso Vataru,Alves, Luiz Carlos,Brayner, Fábio André,Leite, Ana Cristina Lima,Akhtar, Tashfeen. "The design, synthesis, and: In vitro trypanocidal and leishmanicidal activities of 1,3-thiazole and 4-thiazolidinone ester derivatives". . p. 2487 - 2500. Retrieved 2021/01/29.
• 3、 Fliri, Lukas,Partl, Gabriel,Gelbrich, Thomas,Nerdinger, Sven,Wurst, Klaus,Schottenberger, Herwig. "Expedient routes to 1,2,4-triazolinium salts". . p. 593 - 610. Retrieved 2020/01/31.