2-(thiophen-2-yl)morpholine

• ChemBase ID: 238339
• Molecular Formular: C8H11NOS
• Molecular Mass: 169.24404
• Monoisotopic Mass: 169.05613498
• SMILES: c1(sccc1)C1OCCNC1
• Canonical SMILES: C1COC(CN1)c1cccs1
• InChI: InChI=1S/C8H11NOS/c1-2-8(11-5-1)7-6-9-3-4-10-7/h1-2,5,7,9H,3-4,6H2
• InChIKey: PBAULEGLRQCXKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 76175-49-0
• MDL Number: MFCD09901446
• PubChem SID: 164294249
• PubChem CID: 3059155

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0783412
• LogD (pH = 7.4): 0.64895827
• Log P: 1.2857426
• Molar Refractivity: 44.9406 cm^3
• Polarizability: 17.837479 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.796

Product Information

• Purity: 95%; 97%