2-(4-Chlorobenzylidene)hydrazine-1-carbothioamide

Base Information

• Chemical Name: 2-(4-Chlorobenzylidene)hydrazine-1-carbothioamide
• CAS No.: 5706-80-9
• Molecular Formula: C8H8 Cl N3 S
• Molecular Weight: 213.691
• NSC Number: 8277
• Wikidata: Q76304762
• ChEMBL ID: CHEMBL391982
• Mol file: 5706-80-9.mol

Synonyms:2-(4-chlorobenzylidene)hydrazine-1-carbothioamide;5706-80-9;4-chlorobenzaldehyde thiosemicarbazone;[(E)-(4-chlorophenyl)methylideneamino]thiourea;CHEMBL391982;2-(4-Chlorobenzylidene)Hydrazinecarbothioamide;Hydrazinecarbothioamide, 2-[(4-chlorophenyl)methylene]-, (2E)-;674779-07-8;C8-H8-Cl-N3-S;NSC-8277;(E)-1-(4-Chlorobenzylidene)thiosemicarbazide;SCHEMBL5614597;HMS566C05;NSC8277;BDBM50356188;MFCD00156131;STK730856;AKOS000304420;CCG-254684;NCGC00339275-01;CS-0326954;[(E)-(4-chlorophenyl)methyleneamino]thiourea;AB01331810-02;(2E)-2-(4-chlorobenzylidene)hydrazinecarbothioamide;Z56759606

Chemical Property of 2-(4-Chlorobenzylidene)hydrazine-1-carbothioamide

Chemical Property:

• Vapor Pressure: 7.06E-05mmHg at 25°C
• Melting Point: 209 °C
• Boiling Point: 343.4°Cat760mmHg
• Flash Point: 161.5°C
• PSA: 82.50000
• Density: 1.36g/cm³
• LogP: 2.59830
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 213.0127461
• Heavy Atom Count: 13
• Complexity: 200

Purity/Quality:

98%min ^*data from raw suppliers

4-Chlorobenzaldehydethiosemicarbazone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C=NNC(=S)N)Cl
• Isomeric SMILES: C1=CC(=CC=C1/C=N/NC(=S)N)Cl
• Uses: 4-Chlorobenzaldehyde thiosemicarbazone, is an amino acid derivative that can be used as a potential antitubercular (combats tuberculosis bacteria) drug.

Technology Process of 2-(4-Chlorobenzylidene)hydrazine-1-carbothioamide

There total 9 articles about 2-(4-Chlorobenzylidene)hydrazine-1-carbothioamide 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: 95.0%

4-chlorobenzaldehyde (104-88-1) + thiosemicarbazide (79-19-6) → 4-chlorobenzaldehyde thiosemicarbazone (5706-80-9)

Guidance literature:

With silica-modified imidazolium iron chloride functionalized graphene nano sheets; In neat (no solvent); at 30 ℃; for 0.0666667h; Catalytic behavior; Green chemistry;

DOI:10.1039/c9nj05768d

Reference yield: 90.0%

4-chlorobenzaldehyde (104-88-1) + thiosemicarbazide (79-19-6) → 4-chlorobenzaldehyde thiosemicarbazone (5706-80-9)

Guidance literature:

In ethanol; water; Heating;

Reference yield: 83.0%

thiosemicarbazide hydrochloride (4346-94-5) + 4-chlorobenzaldehyde (104-88-1) → 4-chlorobenzaldehyde thiosemicarbazone (5706-80-9)

Guidance literature:

With sodium acetate;

DOI:10.1002/ardp.200800213

upstream raw materials:

4-chlorobenzaldehyde

thiosemicarbazide

ethyl 3-(4-chlorophenyl)-2-cyanoacrylate

thiosemicarbazide hydrochloride

Downstream raw materials:

4-chloro-benzaldehyde (4-oxo-5-propyl-thiazolidin-2-ylidene)-hydrazone

4-chloro-benzaldehyde (5-butyl-4-oxo-thiazolidin-2-ylidene)-hydrazone

4-chlorobenzaldehyde

Refernces

• 1、 Sampath,Mathews, Rita,Ponnuswamy. "Crystal structure and conformation study of 4-chlorobenzaldehyde thiosemicarbazone derivative". . p. 1110 - 1114. Retrieved 2010.
• 2、 Ahmed, Junaid Uddin,Al-Macktuf, Abdullah,Haque, Md. Aminul,Islam, Md. Din,Nishino, Hiroshi,Rahman, Mohammad Mostafizur,Shah, Md. Shahazada. "Synthesis, antimicrobial and antioxidant evaluation with in silico studies of new thiazole Schiff base derivatives". . . Retrieved 2021/10/19.
• 3、 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.