{[5-(furan-2-yl)thiophen-2-yl]methyl}(methyl)amine

• ChemBase ID: 101295
• Molecular Formular: C10H11NOS
• Molecular Mass: 193.26544
• Monoisotopic Mass: 193.05613498
• SMILES: c1(sc(cc1)CNC)c1occc1
• Canonical SMILES: CNCc1ccc(s1)c1ccco1
• InChI: InChI=1S/C10H11NOS/c1-11-7-8-4-5-10(13-8)9-3-2-6-12-9/h2-6,11H,7H2,1H3
• InChIKey: REBAUXOPYFOJIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[5-(furan-2-yl)thiophen-2-yl]methyl}(methyl)amine
• IUPAC Traditional name: {[5-(furan-2-yl)thiophen-2-yl]methyl}(methyl)amine
• Synonyms: N-{[5-(2-furyl)thien-2-yl]methyl}-N-methylamine

Database IDs

• CAS Number: 869901-16-6
• MDL Number: MFCD08690272
• PubChem SID: 162088250
• PubChem CID: 18525822

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.95588225
• LogD (pH = 7.4): 0.38512492
• Log P: 2.1486542
• Molar Refractivity: 53.5071 cm^3
• Polarizability: 22.026997 Å^3
• Polar Surface Area: 25.17 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%