Benzamide, N-(iminothioureidomethyl)-

Base Information

• Chemical Name: Benzamide, N-(iminothioureidomethyl)-
• CAS No.: 63980-64-3
• Molecular Formula: C₉H₁₀N₄OS
• Molecular Weight: 222.271
• Hs Code.: 2930909090
• European Community (EC) Number: 661-716-2
• DSSTox Substance ID: DTXSID80981585
• Mol file: 63980-64-3.mol

Synonyms:63980-64-3;Benzamide, N-(iminothioureidomethyl)-;DTXSID80981585;BSRSEAYGGXWBAB-UHFFFAOYSA-N;AKOS024339550;N-[[(aminocarbothioyl)amino](imino)methyl]benzamide;N-{N-[Imino(sulfanyl)methyl]carbamimidoyl}benzenecarboximidic acid

Chemical Property of Benzamide, N-(iminothioureidomethyl)-

Chemical Property:

• PSA: 123.09000
• Density: 1.4g/cm³
• LogP: 1.76620
• XLogP3: 1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 222.05753213
• Heavy Atom Count: 15
• Complexity: 284

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)NC(=NC(=S)N)N
• Isomeric SMILES: C1=CC=C(C=C1)C(=O)N/C(=N/C(=S)N)/N

Technology Process of Benzamide, N-(iminothioureidomethyl)-

There total 1 articles about Benzamide, N-(iminothioureidomethyl)- 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:

N1-benzoyl-N3-cyanoguanidine (7746-72-7) → benzoylcarbamimidoyl-thiourea (63980-64-3)

Guidance literature:

With ethanol; hydrogen sulfide;

Reference yield:

benzoylcarbamimidoyl-thiourea (63980-64-3) → 5-phenyl-1,2,4-thiadiazol-3-amine (27182-54-3)

Guidance literature:

With ethanol; dihydrogen peroxide;

DOI:10.1007/BF02895121

Reference yield:

benzoylcarbamimidoyl-thiourea (63980-64-3) → N-(5-amino-[1,2,4]thiadiazol-3-yl)-benzamide (90323-67-4)

Guidance literature:

With hydrogenchloride; dihydrogen peroxide;

DOI:10.1007/BF02895121

upstream raw materials:

N¹-benzoyl-N³-cyanoguanidine

Downstream raw materials:

5-phenyl-1,2,4-thiadiazol-3-amine

N-(5-amino-[1,2,4]thiadiazol-3-yl)-benzamide