tetraphenylthiophene

• ChemBase ID: 295837
• Molecular Formular: C28H20S
• Molecular Mass: 388.5234
• Monoisotopic Mass: 388.12857164
• SMILES: c1ccc(cc1)c1c(c(sc1c1ccccc1)c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)c1sc(c(c1c1ccccc1)c1ccccc1)c1ccccc1
• InChI: InChI=1S/C28H20S/c1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22)28(24-19-11-4-12-20-24)29-27(25)23-17-9-3-10-18-23/h1-20H
• InChIKey: MQFBWJOMLIHUDY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetraphenylthiophene
• IUPAC Traditional name: tetraphenylthiophene
• Synonyms: Tetraphenylthiophene; 四苯基噻酚

Database IDs

• CAS Number: 1884-68-0
• EC Number: 217-545-7
• MDL Number: MFCD00014527
• Beilstein Number: 297707
• PubChem SID: 180681368
• PubChem CID: 74664

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 8.336001
• LogD (pH = 7.4): 8.336001
• Log P: 8.336001
• Molar Refractivity: 123.2768 cm^3
• Polarizability: 53.43527 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 178-186°C

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%