(oxolan-2-ylmethyl)(thiophen-3-ylmethyl)amine

• ChemBase ID: 312408
• Molecular Formular: C10H15NOS
• Molecular Mass: 197.2972
• Monoisotopic Mass: 197.08743511
• SMILES: c1(cscc1)CNCC1OCCC1
• Canonical SMILES: C1COC(C1)CNCc1cscc1
• InChI: InChI=1S/C10H15NOS/c1-2-10(12-4-1)7-11-6-9-3-5-13-8-9/h3,5,8,10-11H,1-2,4,6-7H2
• InChIKey: ZFFUGRZKROKZCW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (oxolan-2-ylmethyl)(thiophen-3-ylmethyl)amine
• IUPAC Traditional name: (oxolan-2-ylmethyl)(thiophen-3-ylmethyl)amine
• Synonyms: (tetrahydro-2-furanylmethyl)(3-thienylmethyl)amine

Database IDs

• CAS Number: 892592-66-4
• MDL Number: MFCD07411597

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3212844
• LogD (pH = 7.4): 0.12783761
• Log P: 1.7306256
• Molar Refractivity: 54.6665 cm^3
• Polarizability: 21.51246 Å^3
• Polar Surface Area: 21.26 Å^2