(3-methylthiophen-2-yl)(phenyl)methanone

• ChemBase ID: 271802
• Molecular Formular: C12H10OS
• Molecular Mass: 202.2722
• Monoisotopic Mass: 202.04523594
• SMILES: c1(C(=O)c2ccccc2)c(ccs1)C
• Canonical SMILES: Cc1ccsc1C(=O)c1ccccc1
• InChI: InChI=1S/C12H10OS/c1-9-7-8-14-12(9)11(13)10-5-3-2-4-6-10/h2-8H,1H3
• InChIKey: UIILDZWHBSSNPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-methylthiophen-2-yl)(phenyl)methanone
• IUPAC Traditional name: (3-methylthiophen-2-yl)(phenyl)methanone
• Synonyms: (3-methylthiophen-2-yl)(phenyl)methanone

Database IDs

• MDL Number: MFCD12175262
• PubChem SID: 164327712
• PubChem CID: 335615

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.8589015
• LogD (pH = 7.4): 3.8589015
• Log P: 3.8589015
• Molar Refractivity: 58.5646 cm^3
• Polarizability: 22.3995 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.455

Product Information

• Purity: 95%