Carbamimidothioic acid, (4-methylphenyl)-, phenylmethyl ester

Base Information

• Chemical Name: Carbamimidothioic acid, (4-methylphenyl)-, phenylmethyl ester
• CAS No.: 59439-57-5
• Molecular Formula: C₁₅H₁₆N₂S
• Molecular Weight: 256.371
• DSSTox Substance ID: DTXSID30483246
• Mol file: 59439-57-5.mol

Synonyms:59439-57-5;Carbamimidothioic acid, (4-methylphenyl)-, phenylmethyl ester;DTXSID30483246

Chemical Property of Carbamimidothioic acid, (4-methylphenyl)-, phenylmethyl ester

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 256.10341969
• Heavy Atom Count: 18
• Complexity: 264

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)N=C(N)SCC2=CC=CC=C2

Technology Process of Carbamimidothioic acid, (4-methylphenyl)-, phenylmethyl ester

There total 3 articles about Carbamimidothioic acid, (4-methylphenyl)-, phenylmethyl ester 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:

p-methylphenylthiourea (622-52-6) + benzyl chloride (100-44-7) → p-tolyl S-benzylisothiocarbamide (59439-57-5)

Guidance literature:

With potassium carbonate; In ethanol; for 8h; Reflux;

Reference yield:

p-tolyl S-benzylisothiocarbamide hydrochloride → p-tolyl S-benzylisothiocarbamide (59439-57-5)

Guidance literature:

With ammonium hydroxide; In ethanol; water;

Reference yield:

p-methylphenylthiourea (622-52-6) + benzyl chloride (100-44-7) → S-benzyl-N-(4-methylphenyl)isothiourea (59439-57-5)

Guidance literature:

In ethanol; Heating;

DOI:10.1002/jhet.5570450317

upstream raw materials:

p-methylphenylthiourea

benzyl chloride

Downstream raw materials:

C₂₆H₂₉N₃O₂S₂

C₁₉H₂₃N₃O₂S₂

2-benzylmercapto-1-(4-methylphenyl)-4-(4-methoxyphenyl)-1,6-dihydro-1,3,5-triazine-6-thione

2-benzyl-1-(phenyl-thiocarbamoyl)-3-p-tolyl-isothiourea