[2-(thiomorpholin-4-yl)pyridin-4-yl]methanol

• ChemBase ID: 75981
• Molecular Formular: C10H14N2OS
• Molecular Mass: 210.29596
• Monoisotopic Mass: 210.08268408
• SMILES: n1c(cc(cc1)CO)N1CCSCC1
• Canonical SMILES: OCc1ccnc(c1)N1CCSCC1
• InChI: InChI=1S/C10H14N2OS/c13-8-9-1-2-11-10(7-9)12-3-5-14-6-4-12/h1-2,7,13H,3-6,8H2
• InChIKey: KDJBEJVGUFHDPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(thiomorpholin-4-yl)pyridin-4-yl]methanol
• IUPAC Traditional name: [2-(thiomorpholin-4-yl)pyridin-4-yl]methanol
• Synonyms: (2-thiomorpholinopyrid-4-yl)methanol; 4-(Hydroxymethyl)-2-(thiomorpholin-4-yl)pyridine; 4-[4-(Hydroxymethyl)pyridin-2-yl]thiomorpholine; [2-(Thiomorpholin-4-yl)pyridin-4-yl]methanol

Database IDs

• CAS Number: 898289-25-3
• MDL Number: MFCD09702362
• PubChem SID: 162040899
• PubChem CID: 24229508

CALCULATED PROPERTIES

• Acid pKa: 14.89851
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.2727451
• LogD (pH = 7.4): 1.0202233
• Log P: 1.0518838
• Molar Refractivity: 60.8192 cm^3
• Polarizability: 22.72293 Å^3
• Polar Surface Area: 36.36 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 102-104°C

Safety Information

• Storage Warning: Toxic/Harmful/Irritant/Air Sensitive/Store under Argon

Product Information

• Purity: 97%