2-Benzoyl-N-methylhydrazinecarbothioamide

Base Information

• Chemical Name: 2-Benzoyl-N-methylhydrazinecarbothioamide
• CAS No.: 58064-65-6
• Molecular Formula: C9H11N3OS
• Molecular Weight: 209.272
• Hs Code.: 2930909090
• European Community (EC) Number: 660-331-7
• Nikkaji Number: J2.329.956I
• Mol file: 58064-65-6.mol

Synonyms:2-BENZOYL-N-METHYLHYDRAZINECARBOTHIOAMIDE;58064-65-6;N-[(methylcarbamothioyl)amino]benzamide;1-benzamido-3-methylthiourea;1-Benzoyl-4-methylthiosemicarbazide;SCHEMBL9220486;BHOWZSDKGPSCST-UHFFFAOYSA-N;1-Benzoyl-4-methvlthiosemicarbazide;CCG-51232;STK422159;AKOS000400709;NCGC00337188-01;CS-0222807;EN300-112733;AB01328961-02;N-methyl-2-(phenylcarbonyl)hydrazinecarbothioamide;SR-01000640543-1

Chemical Property of 2-Benzoyl-N-methylhydrazinecarbothioamide

Chemical Property:

• Melting Point: -87.9--84.4 °C
• PKA: 10.38±0.70(Predicted)
• PSA: 85.25000
• Density: 1.238±0.06 g/cm3(Predicted)
• LogP: 1.59800
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 209.06228316
• Heavy Atom Count: 14
• Complexity: 214

Purity/Quality:

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

N-[(methylcarbamothioyl)amino]benzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CNC(=S)NNC(=O)C1=CC=CC=C1

Technology Process of 2-Benzoyl-N-methylhydrazinecarbothioamide

There total 7 articles about 2-Benzoyl-N-methylhydrazinecarbothioamide 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: 87.0%

benzoic acid hydrazide (613-94-5) + methyl thioisocyanate (556-61-6) → 1-(phenyl)carbonyl-4-(methyl)thiosemicarbazide (58064-65-6)

Guidance literature:

In tetrahydrofuran; at 20 ℃; for 12h;

DOI:10.1039/c1ob06512b

Reference yield: 76.0%

methyl isocyanate (593-75-9,685498-28-6) + benzoic acid hydrazide (613-94-5) → 1-(phenyl)carbonyl-4-(methyl)thiosemicarbazide (58064-65-6)

Guidance literature:

methyl isocyanate; With {(η⁵-C₅Me₅)Mo[N(ⁱPr)C(Ph)N(ⁱPr)]}₂(μ-η¹:η¹-N₂); In tetrahydrofuran; for 0.5h;

benzoic acid hydrazide; With sulfur; In tetrahydrofuran; at 85 ℃; for 16h; Schlenk technique; Sealed tube;

DOI:10.1021/acs.organomet.6b00302

Reference yield:

benzoyl chloride (98-88-4) + 4-methylthiosemicarbazide (6610-29-3) → 1-(phenyl)carbonyl-4-(methyl)thiosemicarbazide (58064-65-6)

Guidance literature:

With chloroform;

upstream raw materials:

benzoyl chloride

4-methylthiosemicarbazide

benzoic acid hydrazide

methyl thioisocyanate

Downstream raw materials:

4-methyl-3-phenyl-1H-1,2,4-triazole-5(4H)-thione

methyl-(5-phenyl-[1,3,4]thiadiazol-2-yl)-amine

1-benzoyl-4,S-dimethyl-iso thiosemicarbazide

3,4,5-trimethyl-3H-thiazol-2-one benzoylhydrazone