N-(benzylcarbamothioyl)acetamide

Base Information

• Chemical Name: N-(benzylcarbamothioyl)acetamide
• CAS No.: 81467-37-0
• Molecular Formula: C10H12N2OS
• Molecular Weight: 208.284
• DSSTox Substance ID: DTXSID60401574
• Nikkaji Number: J2.285.165I
• NSC Number: 118967
• Mol file: 81467-37-0.mol

Synonyms:81467-37-0;N-(benzylcarbamothioyl)acetamide;NSC118967;1-acetyl 3-benzylthiourea;DTXSID60401574;AKOS004010383;NSC-118967

Chemical Property of N-(benzylcarbamothioyl)acetamide

Chemical Property:

• Density: 1.19g/cm³
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 208.06703418
• Heavy Atom Count: 14
• Complexity: 212

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC(=S)NCC1=CC=CC=C1

Technology Process of N-(benzylcarbamothioyl)acetamide

There total 2 articles about N-(benzylcarbamothioyl)acetamide 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:

acetyl isothiocyanate (13250-46-9) + benzylamine (100-46-9) → 1-acetyl-3-benzylthiourea (81467-37-0)

Guidance literature:

With benzene;

DOI:10.1111/0022-1082.00366

Reference yield:

acetic anhydride (108-24-7) + N-benzylthiourea (621-83-0) → 1-acetyl-3-benzylthiourea (81467-37-0)

Guidance literature:

Reference yield: 72.0%

1-acetyl-3-benzylthiourea (81467-37-0) → N-Acetyl-N'-benzyl-guanidine

Guidance literature:

With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; 1,1,1,3,3,3-hexamethyl-disilazane; In acetonitrile; at 0 ℃; for 48h;

DOI:10.1016/j.tetlet.2006.01.065

upstream raw materials:

acetic anhydride

N-benzylthiourea

acetyl isothiocyanate

benzylamine

Downstream raw materials:

acetamide

Benzyl isothiocyanate

acetyl isothiocyanate

benzylamine