4(and 5)-Methyl-2-(((2-oxotetrahydro-3-thienyl)amino)carbonyl)cyclohexanecarboxylic acid

Base Information

• Chemical Name: 4(and 5)-Methyl-2-(((2-oxotetrahydro-3-thienyl)amino)carbonyl)cyclohexanecarboxylic acid
• CAS No.: 105441-22-3
• Molecular Formula: C13H19 N O4 S
• Molecular Weight: 285.3593
• DSSTox Substance ID: DTXSID50909539
• Mol file: 105441-22-3.mol

Synonyms:CHF 1229;105441-22-3;4(and 5)-Methyl-2-(((2-oxotetrahydro-3-thienyl)amino)carbonyl)cyclohexanecarboxylic acid;Cyclohexanecarboxylic acid, 4(and 5)-methyl-2-(((2-oxotetrahydro-3-thienyl)amino)carbonyl)-;SCHEMBL10509181;DTXSID50909539;LS-56716;2-{Hydroxy[(2-oxothiolan-3-yl)imino]methyl}-4-methylcyclohexane-1-carboxylic acid

Chemical Property of 4(and 5)-Methyl-2-(((2-oxotetrahydro-3-thienyl)amino)carbonyl)cyclohexanecarboxylic acid

Chemical Property:

• Vapor Pressure: 3.43E-15mmHg at 25°C
• Boiling Point: 584.8°Cat760mmHg
• Flash Point: 307.5°C
• Density: 1.3g/cm³
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 285.10347926
• Heavy Atom Count: 19
• Complexity: 398

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC(C(C1)C(=O)NC2CCSC2=O)C(=O)O