Methyl 3-({[(4-fluorophenyl)amino]carbonothioyl}amino)-4-methylthiophene-2-carboxylate

• Catalog: OFC2197054514
• CAS: 2197054-51-4
• Category: Fluorinated Thiophenes
• Synonyms: Methyl 3-{[(4-fluorophenyl)carbamothioyl]amino}-4-methylthiophene-2-carboxylate
• MDL Number: MFCD30188169

• IUPAC Name: methyl 3-[(4-fluorophenyl)carbamothioylamino]-4-methylthiophene-2-carboxylate
• InChI: InChI=1S/C14H13FN2O2S2/c1-8-7-21-12(13(18)19-2)11(8)17-14(20)16-10-5-3-9(15)4-6-10/h3-7H,1-2H3,(H2,16,17,20)
• InChI Key: GRYLLGVGGFMHHR-UHFFFAOYSA-N
• Isomeric SMILES: CC1=CSC(=C1NC(=S)NC2=CC=C(C=C2)F)C(=O)OC

• Molecular Formula: C14H13FN2O2S2
• Molecular Weight: 324.39

• XLogP3-AA: 4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 324.04024817 g/mol
• Monoisotopic Mass: 324.04024817 g/mol
• Topological Polar Surface Area: 111Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 389