2-fluoro-4-(2-methyl-1,3-thiazol-4-yl)phenol

• ChemBase ID: 255487
• Molecular Formular: C10H8FNOS
• Molecular Mass: 209.2400232
• Monoisotopic Mass: 209.0310631
• SMILES: n1c(csc1C)c1cc(c(cc1)O)F
• Canonical SMILES: Cc1scc(n1)c1ccc(c(c1)F)O
• InChI: InChI=1S/C10H8FNOS/c1-6-12-9(5-14-6)7-2-3-10(13)8(11)4-7/h2-5,13H,1H3
• InChIKey: NBDXQEHDLAFUAQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-4-(2-methyl-1,3-thiazol-4-yl)phenol
• IUPAC Traditional name: 2-fluoro-4-(2-methyl-1,3-thiazol-4-yl)phenol
• Synonyms: 2-fluoro-4-(2-methyl-1,3-thiazol-4-yl)phenol

Database IDs

• MDL Number: MFCD09971601
• PubChem SID: 164311397
• PubChem CID: 25572590

CALCULATED PROPERTIES

• Acid pKa: 7.968329
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.6253824
• LogD (pH = 7.4): 2.5243802
• Log P: 2.6273155
• Molar Refractivity: 52.6686 cm^3
• Polarizability: 21.074598 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 203 - 205°C
• Hydrophobicity(logP): 2.674

Product Information

• Purity: 95%