Guanidine, (4-((4,5-dihydro-5-oxo-2-phenyl-4-thiazolyl)methyl)phenyl)-, (S)-

Base Information

• Chemical Name: Guanidine, (4-((4,5-dihydro-5-oxo-2-phenyl-4-thiazolyl)methyl)phenyl)-, (S)-
• CAS No.: 88291-51-4
• Molecular Formula: C17H16 N4 O S
• Molecular Weight: 324.4
• DSSTox Substance ID: DTXSID001008051
• Mol file: 88291-51-4.mol

Synonyms:4-guanidinophenylalanine-2-phenyl-5-thiazolone;PTA-GPA

Chemical Property of Guanidine, (4-((4,5-dihydro-5-oxo-2-phenyl-4-thiazolyl)methyl)phenyl)-, (S)-

Chemical Property:

• Vapor Pressure: 1.95E-12mmHg at 25°C
• Boiling Point: 556.8°C at 760 mmHg
• PKA: 11.11±0.10(Predicted)
• Flash Point: 290.6°C
• Density: 1.37g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 324.10448232
• Heavy Atom Count: 23
• Complexity: 487

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NC(C(=O)S2)CC3=CC=C(C=C3)N=C(N)N
• Isomeric SMILES: C1=CC=C(C=C1)C2=N[C@H](C(=O)S2)CC3=CC=C(C=C3)N=C(N)N