2-[bis(thiophen-2-yl)phosphoroso]thiophene

• ChemBase ID: 86253
• Molecular Formular: C12H9OPS3
• Molecular Mass: 296.368021
• Monoisotopic Mass: 295.95531454
• SMILES: P(=O)(c1cccs1)(c1cccs1)c1cccs1
• Canonical SMILES: O=P(c1cccs1)(c1cccs1)c1cccs1
• InChI: InChI=1S/C12H9OPS3/c13-14(10-4-1-7-15-10,11-5-2-8-16-11)12-6-3-9-17-12/h1-9H
• InChIKey: OKBJXDNWMXROFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[bis(thiophen-2-yl)phosphoroso]thiophene
• IUPAC Traditional name: 2-[bis(thiophen-2-yl)phosphoroso]thiophene
• Synonyms: tri(2-thienyl)phosphine oxide

Database IDs

• MDL Number: MFCD00550981
• PubChem SID: 162073369
• PubChem CID: 343834

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.5369
• LogD (pH = 7.4): 3.5369
• Log P: 3.5369
• Molar Refractivity: 71.8629 cm^3
• Polarizability: 28.959522 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true