n-(3,4-Dimethylphenyl)hydrazinecarbothioamide

Base Information

• Chemical Name: n-(3,4-Dimethylphenyl)hydrazinecarbothioamide
• CAS No.: 6610-33-9
• Molecular Formula: C9H13N3S
• Molecular Weight: 195.288
• Hs Code.: 2930909090
• European Community (EC) Number: 653-782-6
• NSC Number: 158355
• DSSTox Substance ID: DTXSID10354445
• Mol file: 6610-33-9.mol

Synonyms:n-(3,4-dimethylphenyl)hydrazinecarbothioamide;6610-33-9;3-amino-1-(3,4-dimethylphenyl)thiourea;1-amino-3-(3,4-dimethylphenyl)thiourea;NSC158355;Oprea1_429830;SCHEMBL14090391;DTXSID10354445;MFCD00025141;STL164011;AKOS000116097;BS-4077;NSC-158355;4-(3,4-XYLYL)-3-THIOSEMICARBAZIDE;BB 0242801;CS-0219301;FT-0693630;EN300-03641;N1-(3,4-dimethylphenyl)hydrazine-1-carbothioamide;J-522986;Z56813549

Chemical Property of n-(3,4-Dimethylphenyl)hydrazinecarbothioamide

Chemical Property:

• Vapor Pressure: 0.000323mmHg at 25°C
• Melting Point: 119 °C
• Boiling Point: 320.2°Cat760mmHg
• PKA: 10.41±0.70(Predicted)
• Flash Point: 147.4°C
• PSA: 82.17000
• Density: 1.228g/cm³
• LogP: 2.62770
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 195.08301860
• Heavy Atom Count: 13
• Complexity: 184

Purity/Quality:

99%min ^*data from raw suppliers

N-(3,4-DIMETHYLPHENYL)HYDRAZINECARBOTHIOAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)NC(=S)NN)C

Technology Process of n-(3,4-Dimethylphenyl)hydrazinecarbothioamide

There total 6 articles about n-(3,4-Dimethylphenyl)hydrazinecarbothioamide 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:

4-amino-o-xylene (95-64-7) → 4-(3',4'-dimethylphenyl)-3-thiosemicarbazide (6610-33-9)

Guidance literature:

Multi-step reaction with 3 steps

1: ammonium hydroxide / ethanol / 1 h / 20 °C

2: ethanol / 0.5 h / 20 °C

3: hydrazine hydrate / ethanol / 1 h / 20 °C

With ammonium hydroxide; hydrazine hydrate; In ethanol;

DOI:10.1007/s12272-012-0902-4

Reference yield:

C11H12NO2S(1-)*Na(1+) → 4-(3',4'-dimethylphenyl)-3-thiosemicarbazide (6610-33-9)

Guidance literature:

With hydrazine hydrate; In ethanol; at 20 ℃; for 1h;

DOI:10.1007/s12272-012-0902-4

Reference yield:

C14H21N3O2S (437726-59-5) → 4-(3',4'-dimethylphenyl)-3-thiosemicarbazide (6610-33-9)

Guidance literature:

With hydrogenchloride; In water;

DOI:10.1021/jm2006047

upstream raw materials:

3,4-xylyl isothiocyanate

C₁₄H₂₁N₃O₂S

C₉H₁₁NS₂*H₃N

4-amino-o-xylene

Downstream raw materials:

(Z)-N-(3,4-dimethylphenyl)-2-(2-oxoindolin-3-ylidene)hydrazinecarbothioamide

4-[(10S)-dihydroartemisinin-10-oxy]benzaldehyde 4-(3,4-dimethylphenyl)thiosemicarbazone

Refernces

• 1、 Hall, Matthew D.,Brimacombe, Kyle R.,Varonka, Matthew S.,Pluchino, Kristen M.,Monda, Julie K.,Li, Jiayang,Walsh, Martin J.,Boxer, Matthew B.,Warren, Timothy H.,Fales, Henry M.,Gottesman, Michael M.. "Synthesis and structure-activity evaluation of isatin-β- thiosemicarbazones with improved selective activity toward multidrug-resistant cells expressing P-glycoprotein". experimental part. p. 5878 - 5889. Retrieved 2011/10/08.