(2-Methylanilino)thiourea

Base Information

• Chemical Name: (2-Methylanilino)thiourea
• CAS No.: 614-10-8
• Molecular Formula: C8H11 N3 S
• Molecular Weight: 181.261
• Hs Code.: 2930909090
• Nikkaji Number: J134.602D
• Wikidata: Q27187908
• ChEMBL ID: CHEMBL1353091
• Mol file: 614-10-8.mol

Synonyms:(2-methylanilino)thiourea;[(2-methylphenyl)amino]thiourea;NSC 97210;20174-30-5;BRN 0880437;2-(2-methylphenyl)-1-hydrazinecarbothioamide;Tolylthiosemicarbazid;MLS000764026;CHEMBL1353091;SCHEMBL11750548;1-(o-Tolyl)-3-Thiosemicarbazide;CHEBI:108936;HMS2711H10;1-[(2-methylphenyl)amino]thiourea;1-(2-Methylphenyl)thiosemicarbazide;STK039155;AKOS005083341;NCGC00246535-01;2-(2-methylphenyl)hydrazinecarbothioamide;SMR000336171;LS-144906;1P-072;A833206;Q27187908

Chemical Property of (2-Methylanilino)thiourea

Chemical Property:

• Vapor Pressure: 0.00148mmHg at 25°C
• Melting Point: 148-150°C
• Boiling Point: 295.9°C at 760 mmHg
• PKA: 10.34±0.70(Predicted)
• Flash Point: 132.8°C
• PSA: 82.17000
• Density: 1.27g/cm³
• LogP: 2.31930
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 181.06736854
• Heavy Atom Count: 12
• Complexity: 160

Purity/Quality:

98%min ^*data from raw suppliers

4-(2-Methylphenyl)-3-thiosemicarbazide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): 880437
• Hazard Codes: T
• Statements: 25
• Safety Statements: 22-36/37-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1NNC(=S)N

Technology Process of (2-Methylanilino)thiourea

There total 10 articles about (2-Methylanilino)thiourea 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%

2-tolyl isothiocyanate (614-69-7) → 4-(2-methylphenyl)-3-thiosemicarbazide (614-10-8)

Guidance literature:

With hydrazine; In water; isopropyl alcohol; at 20 ℃; for 0.5h;

DOI:10.1021/jm9014394

Reference yield:

o-toluidine (95-53-4) → 4-(2-methylphenyl)-3-thiosemicarbazide (614-10-8)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium hydroxide / H₂O; ethanol / 20 °C

2: sodium hydroxide; hydrazine hydrate / H₂O / 2 h / Heating

With potassium hydroxide; sodium hydroxide; hydrazine hydrate; In ethanol; water;

DOI:10.1016/j.ejps.2005.02.014

Reference yield:

C10H10NO2S(1-)*Na(1+) → 4-(2-methylphenyl)-3-thiosemicarbazide (614-10-8)

Guidance literature:

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

DOI:10.1007/s12272-012-0902-4

upstream raw materials:

hydrazine-N,N'-bis-carbothioic acid di-o-toluidide

o-toluidine

o-tolylthiourea

2-tolyl isothiocyanate

Downstream raw materials:

(E)-1-(pyridin-2-ylmethylene)-4-o-tolylthiosemicarbazide

pyridine-3-carbaldehyde-(4-o-tolyl thiosemicarbazone)

pyridine-4-carbaldehyde-(4-o-tolyl thiosemicarbazone)

3-o-tolylthiocarbamoyl-carbazic acid ethyl ester

Refernces

• 1、 Mu?lu, Halit. "Synthesis, characterization, and antioxidant activity of some new N 4-arylsubstituted-5-methoxyisatin-β-thiosemicarbazone derivatives". . p. 2083 - 2098. Retrieved 2020/01/13.
• 2、 Tiwari, Shailendra,Nizamuddin. "Synthesis and fungicidal activities of some 2-substituted arylamino-5-(2′-furyl)-1,3,4-thiadiazolo[3,2-c]thiazoles and 5-substituted aryl-2-substituted arylamino-1,3,4-thiadiazolo[3,2-c]thiazoles". . p. 679 - 683. Retrieved 2013/07/26.