2-(morpholin-3-yl)-1-(thiophen-2-yl)ethan-1-ol

• ChemBase ID: 236423
• Molecular Formular: C10H15NO2S
• Molecular Mass: 213.2966
• Monoisotopic Mass: 213.08234973
• SMILES: c1(sccc1)C(CC1NCCOC1)O
• Canonical SMILES: OC(c1cccs1)CC1COCCN1
• InChI: InChI=1S/C10H15NO2S/c12-9(10-2-1-5-14-10)6-8-7-13-4-3-11-8/h1-2,5,8-9,11-12H,3-4,6-7H2
• InChIKey: VVTOKYYKQAEMMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-3-yl)-1-(thiophen-2-yl)ethan-1-ol
• IUPAC Traditional name: 2-(morpholin-3-yl)-1-(thiophen-2-yl)ethanol
• Synonyms: 2-(morpholin-3-yl)-1-(thiophen-2-yl)ethan-1-ol

Database IDs

• MDL Number: MFCD22196584
• PubChem SID: 164292333
• PubChem CID: 71755707

CALCULATED PROPERTIES

• Acid pKa: 14.002316
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.5529649
• LogD (pH = 7.4): 0.15986007
• Log P: 0.71536744
• Molar Refractivity: 55.7685 cm^3
• Polarizability: 22.154211 Å^3
• Polar Surface Area: 41.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 109 - 111°C
• Hydrophobicity(logP): 0.414

Product Information

• Purity: 95%