3-phenoxythiophene

• ChemBase ID: 92450
• Molecular Formular: C10H8OS
• Molecular Mass: 176.23492
• Monoisotopic Mass: 176.02958588
• SMILES: s1cc(Oc2ccccc2)cc1
• Canonical SMILES: c1ccc(cc1)Oc1cscc1
• InChI: InChI=1S/C10H8OS/c1-2-4-9(5-3-1)11-10-6-7-12-8-10/h1-8H
• InChIKey: DXSHUWUDKNEGFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-phenoxythiophene
• IUPAC Traditional name: 3-phenoxythiophene
• Synonyms: 3-Phenoxythiophene; 3-Phenoxythiophene 97%; 3-苯氧基噻吩

Database IDs

• CAS Number: 63285-84-7
• MDL Number: MFCD00178747
• PubChem SID: 162079148
• PubChem CID: 7018947

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.253975
• LogD (pH = 7.4): 3.253975
• Log P: 3.253975
• Molar Refractivity: 49.4046 cm^3
• Polarizability: 19.299837 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: 97%