(Aminomethylamino)((4-chlorophenyl)amino)methane-1-thione

Base Information

• Chemical Name: (Aminomethylamino)((4-chlorophenyl)amino)methane-1-thione
• CAS No.: 70483-64-6
• Molecular Formula: C8H10ClN3S
• Molecular Weight: 215.70300
• DSSTox Substance ID: DTXSID301324307
• ChEMBL ID: CHEMBL1523399
• Mol file: 70483-64-6.mol

Synonyms:70483-64-6;1-amino-3-(4-chlorophenyl)-1-methylthiourea;3-amino-1-(4-chlorophenyl)-3-methylthiourea;(AMINOMETHYLAMINO)((4-CHLOROPHENYL)AMINO)METHANE-1-THIONE;MLS001003545;CHEMBL1523399;SCHEMBL10942583;VRLOSSDSQXUQET-UHFFFAOYSA-N;DTXSID301324307;HMS2732C04;MFCD00170301;AKOS001019271;MS-10692;SMR000377531;N-(4-chlorophenyl)-1-methylhydrazinecarbothioamide;SR-01000034705;SR-01000034705-1;Z56844971

Chemical Property of (Aminomethylamino)((4-chlorophenyl)amino)methane-1-thione

Chemical Property:

• PSA: 73.38000
• LogP: 2.61560
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 215.0283962
• Heavy Atom Count: 13
• Complexity: 180

Purity/Quality:

99% ^*data from raw suppliers

(aminomethylamino)((4-chlorophenyl)amino)methane-1-thione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN(C(=S)NC1=CC=C(C=C1)Cl)N

Technology Process of (Aminomethylamino)((4-chlorophenyl)amino)methane-1-thione

There total 1 articles about (Aminomethylamino)((4-chlorophenyl)amino)methane-1-thione 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-Chlorophenyl isothiocyanate (2131-55-7) + methylhydrazine (60-34-4) → 2-methyl-4-(p-chloro)phenylthiosemicarbazide (70483-64-6)

Guidance literature:

In methanol; water; for 0.5h; Yield given; Ambient temperature;

DOI:10.1002/jhet.5570330353

Reference yield:

2-methyl-4-(p-chloro)phenylthiosemicarbazide (70483-64-6) → (4-Chloro-phenyl)-[3-methyl-5-phenyl-3H-[1,3,4]thiadiazol-(2E)-ylidene]-amine

Guidance literature:

Multi-step reaction with 2 steps

1: AcOH / ethanol / 0.25 h / Heating

2: 26.8 percent / FeCl₃*6H₂O / ethanol / 0.33 h / Heating

With iron(III) chloride; acetic acid; In ethanol;

DOI:10.1002/jhet.5570330353

Reference yield:

2-methyl-4-(p-chloro)phenylthiosemicarbazide (70483-64-6) → 4-(4-Chloro-phenyl)-2-methyl-5-phenyl-2,4-dihydro-[1,2,4]triazole-3-thione

Guidance literature:

Multi-step reaction with 2 steps

1: AcOH / ethanol / 0.25 h / Heating

2: 64.8 percent / FeCl₃*6H₂O / ethanol / 0.33 h / Heating

With iron(III) chloride; acetic acid; In ethanol;

DOI:10.1002/jhet.5570330353

upstream raw materials:

4-Chlorophenyl isothiocyanate

methylhydrazine

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