3-(((2-Oxotetrahydro-3-thienyl)amino)carbonyl)bicyclo(2.2.1)hept-5-ene-2-carboxylic acid

Base Information

• Chemical Name: 3-(((2-Oxotetrahydro-3-thienyl)amino)carbonyl)bicyclo(2.2.1)hept-5-ene-2-carboxylic acid
• CAS No.: 105441-21-2
• Molecular Formula: C13H15 N O4 S
• Molecular Weight: 281.3275
• DSSTox Substance ID: DTXSID90909538
• Mol file: 105441-21-2.mol

Synonyms:CHF 1203;105441-21-2;3-(((2-Oxotetrahydro-3-thienyl)amino)carbonyl)bicyclo(2.2.1)hept-5-ene-2-carboxylic acid;3-((N-(Tetrahydro-2-oxo-3-thienyl)amino)-carbonyl)bicyclo(2,2,1)-hept-5-ene-2-carboxylic acid;Bicyclo(2.2.1)hept-5-ene-2-carboxylic acid, 3-(((2-oxotetrahydro-3-thienyl)amino)carbonyl)-;SCHEMBL10513391;DTXSID90909538;STK467250;AKOS003321802;LS-43707;3-[(2-oxotetrahydrothiophen-3-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-{Hydroxy[(2-oxothiolan-3-yl)imino]methyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

Chemical Property of 3-(((2-Oxotetrahydro-3-thienyl)amino)carbonyl)bicyclo(2.2.1)hept-5-ene-2-carboxylic acid

Chemical Property:

• Vapor Pressure: 3.18E-17mmHg at 25°C
• Boiling Point: 624.9°Cat760mmHg
• Flash Point: 331.8°C
• PSA: 112.26000
• Density: 1.45g/cm³
• LogP: 1.49790
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 281.07217913
• Heavy Atom Count: 19
• Complexity: 475

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CSC(=O)C1NC(=O)C2C3CC(C2C(=O)O)C=C3