1-sulfanylnaphthalen-2-ol

• ChemBase ID: 248362
• Molecular Formular: C10H8OS
• Molecular Mass: 176.23492
• Monoisotopic Mass: 176.02958588
• SMILES: c1(c2c(ccc1O)cccc2)S
• Canonical SMILES: Oc1ccc2c(c1S)cccc2
• InChI: InChI=1S/C10H8OS/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6,11-12H
• InChIKey: QGKGHQPUCHEWMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-sulfanylnaphthalen-2-ol
• IUPAC Traditional name: 1-sulfanylnaphthalen-2-ol
• Synonyms: 1-sulfanylnaphthalen-2-ol

Database IDs

• PubChem SID: 164304272
• PubChem CID: 10877669

CALCULATED PROPERTIES

• Acid pKa: 6.265325
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 2.686346
• LogD (pH = 7.4): 1.7661668
• Log P: 2.7523644
• Molar Refractivity: 52.4989 cm^3
• Polarizability: 21.55682 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.042

Product Information

• Purity: null%