3-Mercapto-N-((5-oxo-4(5H)-oxazolylidene)methyl)valine

Base Information

• Chemical Name: 3-Mercapto-N-((5-oxo-4(5H)-oxazolylidene)methyl)valine
• CAS No.: 10250-99-4
• Molecular Formula: C9H12 N2 O4 S
• Molecular Weight: 244.2676
• Mol file: 10250-99-4.mol

Synonyms:10250-99-4;Penicillenic acid;3-Mercapto-N-((5-oxo-4(5H)-oxazolylidene)methyl)valine;Valine, 3-mercapto-N-((5-oxo-4(5H)-oxazolylidene)methyl)-;2-[(5-hydroxy-1,3-oxazol-4-yl)methylideneamino]-3-methyl-3-sulfanylbutanoic acid;3-Mercapto-N-[(5-oxo-4,5-dihydrooxazol-4-ylidene)methyl]valine

Chemical Property of 3-Mercapto-N-((5-oxo-4(5H)-oxazolylidene)methyl)valine

Chemical Property:

• Vapor Pressure: 1.62E-06mmHg at 25°C
• Boiling Point: 370.8°Cat760mmHg
• Flash Point: 178.1°C
• PSA: 126.79000
• Density: 1.44g/cm³
• LogP: -0.00940
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 244.05177804
• Heavy Atom Count: 16
• Complexity: 295

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C(C(=O)O)N=CC1=C(OC=N1)O)S
• Uses: Penicillenic Acid is a byproduct in the hydrolysis of Benzylpenicillin (B288601), An antibiotic substance produced by Penicillium sp. Antibacterial.