PTH-(S-phenylthiocarbamyl)cysteine

Base Information

• Chemical Name: PTH-(S-phenylthiocarbamyl)cysteine
• CAS No.: 4094-50-2
• Molecular Formula: C₁₇H₁₅N₃OS₃
• Molecular Weight: 373.524
• DSSTox Substance ID: DTXSID80393164
• Mol file: 4094-50-2.mol

Synonyms:PTH-(S-phenylthiocarbamyl)cysteine;4094-50-2;(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)methyl N-phenylcarbamodithioate;(5-oxo-1-phenyl-2-thioxoimidazolidin-4-yl)methyl phenylcarbamodithioate;l-MethylephedrineHCl;SCHEMBL1520695;DTXSID80393164;STK024643;AKOS005379947;FT-0635122

Chemical Property of PTH-(S-phenylthiocarbamyl)cysteine

Chemical Property:

• Vapor Pressure: 5.68E-11mmHg at 25°C
• Melting Point: 177-178 °C
• Refractive Index: 1.763
• Boiling Point: 521.4°C at 760 mmHg
• PKA: 10.15±0.40(Predicted)
• Flash Point: 269.2°C
• PSA: 133.85000
• Density: 1.45g/cm³
• LogP: 3.87330
• Storage Temp.: −20°C
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 373.03772563
• Heavy Atom Count: 24
• Complexity: 488

Purity/Quality:

98%min ^*data from raw suppliers

PTH-(S-PHENYLTHIOCARBAMYL)CYSTEINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC(=S)SCC2C(=O)N(C(=S)N2)C3=CC=CC=C3

Technology Process of PTH-(S-phenylthiocarbamyl)cysteine

There total 1 articles about PTH-(S-phenylthiocarbamyl)cysteine 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:

→ (5-oxo-1-phenyl-2-thioxoimidazolidin-4-yl)methyl phenylcarbamodithioate (4094-50-2)

Guidance literature:

/BRN= 707046/, Essigsaeure, konz. HCl, 20grad;

DOI:10.1002/hlca.19640470632

Refernces