(naphthalen-1-yl)(thiophen-2-yl)methanone

• ChemBase ID: 260853
• Molecular Formular: C15H10OS
• Molecular Mass: 238.3043
• Monoisotopic Mass: 238.04523594
• SMILES: C(=O)(c1c2c(ccc1)cccc2)c1sccc1
• Canonical SMILES: O=C(c1cccc2c1cccc2)c1cccs1
• InChI: InChI=1S/C15H10OS/c16-15(14-9-4-10-17-14)13-8-3-6-11-5-1-2-7-12(11)13/h1-10H
• InChIKey: HMUQMAGZVBAOHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (naphthalen-1-yl)(thiophen-2-yl)methanone
• IUPAC Traditional name: (naphthalen-1-yl)(thiophen-2-yl)methanone
• Synonyms: (naphthalen-1-yl)(thiophen-2-yl)methanone

Database IDs

• MDL Number: MFCD05149050
• PubChem SID: 164316763
• PubChem CID: 3783262

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.334957
• LogD (pH = 7.4): 4.334957
• Log P: 4.334957
• Molar Refractivity: 69.9736 cm^3
• Polarizability: 28.20578 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 65 - 67°C
• Hydrophobicity(logP): 4.13

Product Information

• Purity: 95%