1-[(E)-benzylideneamino]-1,3-dimethylthiourea

Base Information

• Chemical Name: 1-[(E)-benzylideneamino]-1,3-dimethylthiourea
• CAS No.: 4277-77-4
• Molecular Formula: C₁₀H₁₃N₃S
• Molecular Weight: 207.299
• NSC Number: 137980
• Mol file: 4277-77-4.mol

Synonyms:NSC137980;NSC-137980;4277-77-4

Chemical Property of 1-[(E)-benzylideneamino]-1,3-dimethylthiourea

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Boiling Point: 300.6°Cat760mmHg
• Flash Point: 135.6°C
• Density: 1.07g/cm³
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 207.08301860
• Heavy Atom Count: 14
• Complexity: 209

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC(=S)N(C)N=CC1=CC=CC=C1
• Isomeric SMILES: CNC(=S)N(C)/N=C/C1=CC=CC=C1

Technology Process of 1-[(E)-benzylideneamino]-1,3-dimethylthiourea

There total 1 articles about 1-[(E)-benzylideneamino]-1,3-dimethylthiourea 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:

2,4-dimethylthiosemicarbazide (6621-75-6) + benzaldehyde (100-52-7) → benzaldehyde-(2,4-dimethyl thiosemicarbazone) (4277-77-4)

Guidance literature:

DOI:10.1021/ja01626a068

Reference yield: 57.0%

benzaldehyde-(2,4-dimethyl thiosemicarbazone) (4277-77-4) → 4-methyl-5-methylimino-2-phenyl-Δ2-1,3,4-thiadiazoline (3357-39-9) + 2,4-dimethyl-5-phenyl-3H-1,2,4-triazole-3-thione (7112-00-7)

Guidance literature:

With iron(III) chloride; In ethanol; for 0.5h; Heating;

Reference yield:

benzaldehyde-(2,4-dimethyl thiosemicarbazone) (4277-77-4) → N,N'''-dibenzylidene-N',N'',N'''',N'''''-tetramethyl-μ-disulfido-dicarboxamidrazone

Guidance literature:

With mercury(II) oxide;

DOI:10.1021/ja01626a068

upstream raw materials:

2,4-dimethylthiosemicarbazide

benzaldehyde

Downstream raw materials:

1-Benzyl-2,4-dimethyl-thiosemicarbazid

4-methyl-5-methylimino-2-phenyl-Δ²-1,3,4-thiadiazoline

2,4-dimethyl-5-phenyl-3H-1,2,4-triazole-3-thione

Refernces