2-(thiophen-3-yl)morpholine

• ChemBase ID: 237799
• Molecular Formular: C8H11NOS
• Molecular Mass: 169.24404
• Monoisotopic Mass: 169.05613498
• SMILES: c1(cscc1)C1OCCNC1
• Canonical SMILES: C1COC(CN1)c1cscc1
• InChI: InChI=1S/C8H11NOS/c1-4-11-6-7(1)8-5-9-2-3-10-8/h1,4,6,8-9H,2-3,5H2
• InChIKey: PVFVGKBTMYLHRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1247392-06-8
• MDL Number: MFCD16671403
• PubChem SID: 164293709
• PubChem CID: 54334311

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2100109
• LogD (pH = 7.4): 0.5172024
• Log P: 1.1533033
• Molar Refractivity: 45.1565 cm^3
• Polarizability: 17.833506 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%; 98%