N-(4-Methylbenzylthiocarbonyl)phenylalanine

Base Information

• Chemical Name: N-(4-Methylbenzylthiocarbonyl)phenylalanine
• CAS No.: 64905-22-2
• Molecular Formula: C18H19 N O3 S
• Molecular Weight: 329.41
• DSSTox Substance ID: DTXSID80983488
• Nikkaji Number: J22.652A
• Wikidata: Q82970407
• Mol file: 64905-22-2.mol

Synonyms:KF 1492;KF-1492;N-(4-methylbenzylthiocarbonyl)-L-phenylalanine;N-(4-methylbenzylthiocarbonyl)phenylalanine;N-(4-methylbenzylthiocarbonyl)phenylalanine, (D)-isomer;N-(4-methylbenzylthiocarbonyl)phenylalanine, (DL)-isomer

Chemical Property of N-(4-Methylbenzylthiocarbonyl)phenylalanine

Chemical Property:

• Density: 1.249g/cm³
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 329.10856464
• Heavy Atom Count: 23
• Complexity: 388

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)CSC(=O)NC(CC2=CC=CC=C2)C(=O)O
• Isomeric SMILES: CC1=CC=C(C=C1)CSC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O