2-methyl-6-(thiophen-3-yl)morpholine

• ChemBase ID: 238232
• Molecular Formular: C9H13NOS
• Molecular Mass: 183.27062
• Monoisotopic Mass: 183.07178504
• SMILES: c1(C2OC(CNC2)C)cscc1
• Canonical SMILES: CC1CNCC(O1)c1cscc1
• InChI: InChI=1S/C9H13NOS/c1-7-4-10-5-9(11-7)8-2-3-12-6-8/h2-3,6-7,9-10H,4-5H2,1H3
• InChIKey: WVKONACANKCVGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-6-(thiophen-3-yl)morpholine
• IUPAC Traditional name: 2-methyl-6-(thiophen-3-yl)morpholine
• Synonyms: 2-methyl-6-(thiophen-3-yl)morpholine

Database IDs

• MDL Number: MFCD16671406
• PubChem SID: 164294142
• PubChem CID: 62090311

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.92564845
• LogD (pH = 7.4): 0.8087189
• Log P: 1.5698782
• Molar Refractivity: 49.5753 cm^3
• Polarizability: 19.67136 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.315

Product Information

• Purity: 95%