4-((1-((2-Cyclohexyl-2-hydroxyethylidene)amino)-3-ethyloctahydro-2-oxo-5-cyclopentimidazolyl)thio)butanoic acid

Base Information

• Chemical Name: 4-((1-((2-Cyclohexyl-2-hydroxyethylidene)amino)-3-ethyloctahydro-2-oxo-5-cyclopentimidazolyl)thio)butanoic acid
• CAS No.: 139147-26-5
• Molecular Formula: C20H33 N3 O4 S
• Molecular Weight: 411.564
• Mol file: 139147-26-5.mol

Synonyms:(+-)-5-(3-carboxypropylthio)-1-(2-cyclohexyl-2-hydroxyethylideneamino)-3-ethylhexahydrocyclopenta(d)imidazol-2(1H)-one;192C86;4-((1-((2-cyclohexyl-2-hydroxyethylidene)amino)-3-ethyloctahydro-2-oxo-5-cyclopentimidazolyl)thio)butanoic acid

Chemical Property of 4-((1-((2-Cyclohexyl-2-hydroxyethylidene)amino)-3-ethyloctahydro-2-oxo-5-cyclopentimidazolyl)thio)butanoic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 602.6°Cat760mmHg
• Flash Point: 318.3°C
• PSA: 118.74000
• Density: 1.38g/cm³
• LogP: 3.04430
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 411.21917772
• Heavy Atom Count: 28
• Complexity: 582

Purity/Quality:

99% ^*data from raw suppliers

192C86 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C2CC(CC2N(C1=O)N=CC(C3CCCCC3)O)SCCCC(=O)O
• Isomeric SMILES: CCN1C2CC(CC2N(C1=O)/N=C/C(C3CCCCC3)O)SCCCC(=O)O