Phenyl carbamothioylcarbamate

Base Information

• Chemical Name: Phenyl carbamothioylcarbamate
• CAS No.: 89879-65-2
• Molecular Formula: C₈H₈N₂O₂S
• Molecular Weight: 196.23
• DSSTox Substance ID: DTXSID60518838
• Mol file: 89879-65-2.mol

Synonyms:Phenyl carbamothioylcarbamate;89879-65-2;DTXSID60518838

Chemical Property of Phenyl carbamothioylcarbamate

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 196.03064868
• Heavy Atom Count: 13
• Complexity: 202

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Phenyl carbamothioylcarbamate

There total 3 articles about Phenyl carbamothioylcarbamate 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:

phenoxycarbonyl isothiocyanate (6374-24-9) → 3-thio-allophanic acid phenyl ester (89879-65-2)

Guidance literature:

With ammonia; benzene;

Reference yield:

phenyl chloroformate (1885-14-9) → 3-thio-allophanic acid phenyl ester (89879-65-2)

Guidance literature:

Multi-step reaction with 2 steps

1: benzene

2: benzene; alcoholic ammonia

With ammonia; benzene;

Reference yield:

phenoxycarbonyl isothiocyanate (6374-24-9) + ammonia (7664-41-7) → 3-thio-allophanic acid phenyl ester (89879-65-2)

Guidance literature:

upstream raw materials:

phenoxycarbonyl isothiocyanate

ammonia

phenyl chloroformate