[5-(morpholin-4-yl)thiophen-2-yl]methanol

• ChemBase ID: 101349
• Molecular Formular: C9H13NO2S
• Molecular Mass: 199.27002
• Monoisotopic Mass: 199.06669966
• SMILES: c1(sc(cc1)CO)N1CCOCC1
• Canonical SMILES: OCc1ccc(s1)N1CCOCC1
• InChI: InChI=1S/C9H13NO2S/c11-7-8-1-2-9(13-8)10-3-5-12-6-4-10/h1-2,11H,3-7H2
• InChIKey: ARHCBVQYTBJJPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-(morpholin-4-yl)thiophen-2-yl]methanol
• IUPAC Traditional name: [5-(morpholin-4-yl)thiophen-2-yl]methanol
• Synonyms: (5-morpholinothien-2-yl)methanol

Database IDs

• CAS Number: 910036-90-7
• MDL Number: MFCD08442796
• PubChem SID: 162086754
• PubChem CID: 16769593

CALCULATED PROPERTIES

• Acid pKa: 14.747351
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1743168
• LogD (pH = 7.4): 1.1743168
• Log P: 1.1743168
• Molar Refractivity: 52.4268 cm^3
• Polarizability: 19.943153 Å^3
• Polar Surface Area: 32.7 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%