3,4-dimethyl-N-(2-oxotetrahydrothiophen-3-yl)benzamide

Base Information

• Chemical Name: 3,4-dimethyl-N-(2-oxotetrahydrothiophen-3-yl)benzamide
• CAS No.: 472984-71-7
• Molecular Formula: C13H15NO2S
• Molecular Weight: 249.3287
• DSSTox Substance ID: DTXSID90387099
• Mol file: 472984-71-7.mol

Synonyms:472984-71-7;ST50258218;Oprea1_461491;Oprea1_610093;3,4-dimethyl-N-(2-oxotetrahydrothiophen-3-yl)benzamide;DTXSID90387099;STK020840;AKOS000644595;NCGC00327092-01;AB01322372-02;benzamide,3,4-dimethyl-N-(tetrahydro-2-oxo-3-thienyl)-;3,4-dimethyl-N~1~-(2-oxotetrahydro-3-thiophenyl)benzamide

Chemical Property of 3,4-dimethyl-N-(2-oxotetrahydrothiophen-3-yl)benzamide

Chemical Property:

• PSA: 71.47000
• LogP: 2.45620
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 249.08234989
• Heavy Atom Count: 17
• Complexity: 319

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)C(=O)NC2CCSC2=O)C