methyl 2-amino-4-(furan-2-yl)thiophene-3-carboxylate

• ChemBase ID: 306443
• Molecular Formular: C10H9NO3S
• Molecular Mass: 223.24836
• Monoisotopic Mass: 223.03031415
• SMILES: c1(c(csc1N)c1occc1)C(=O)OC
• Canonical SMILES: COC(=O)c1c(N)scc1c1ccco1
• InChI: InChI=1S/C10H9NO3S/c1-13-10(12)8-6(5-15-9(8)11)7-3-2-4-14-7/h2-5H,11H2,1H3
• InChIKey: WTZRPPAFHJSSHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-amino-4-(furan-2-yl)thiophene-3-carboxylate
• IUPAC Traditional name: methyl 2-amino-4-(furan-2-yl)thiophene-3-carboxylate
• Synonyms: methyl 2-amino-4-(2-furyl)thiophene-3-carboxylate

Database IDs

• CAS Number: 670271-04-2
• MDL Number: MFCD03422510

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.4517066
• LogD (pH = 7.4): 2.4517066
• Log P: 2.4517066
• Molar Refractivity: 56.5765 cm^3
• Polarizability: 22.40203 Å^3
• Polar Surface Area: 65.46 Å^2