1-[(2-Aminophenyl)carbamothioyl]pyrrolidine-2-carboxylic acid

Base Information

• Chemical Name: 1-[(2-Aminophenyl)carbamothioyl]pyrrolidine-2-carboxylic acid
• CAS No.: 125421-24-1
• Molecular Formula: C12H15 N3 O2 S
• Molecular Weight: 265.3314
• DSSTox Substance ID: DTXSID30925131
• Mol file: 125421-24-1.mol

Synonyms:2-amino-PTC-Pro;N-(N'-(2'-nitrophenyl)thiocarbamyl)pyrrolidine-2-carboxylic acid;N-(N'-(2'-nitrophenyl)thiocarbamyl)pyrrolidine-2-carboxylic acid, (L)-isomer;N-(N'-(2'-nitrophenyl)thiocarbamyl)pyrrolidine-2-carboxylic acid, monosodium salt, (DL)-isomer;o-amino-PTC-proline

Chemical Property of 1-[(2-Aminophenyl)carbamothioyl]pyrrolidine-2-carboxylic acid

Chemical Property:

• Boiling Point: 468.9°Cat760mmHg
• Flash Point: 237.4°C
• PSA: 117.72000
• Density: 1.467g/cm³
• LogP: 2.25420
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 265.08849790
• Heavy Atom Count: 18
• Complexity: 337

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(N(C1)C(=S)NC2=CC=CC=C2N)C(=O)O