tris(4-methylphenyl)-$l^{5}-phosphanethione

• ChemBase ID: 83007
• Molecular Formular: C21H21PS
• Molecular Mass: 336.430201
• Monoisotopic Mass: 336.1101583
• SMILES: P(=S)(c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C
• Canonical SMILES: Cc1ccc(cc1)P(=S)(c1ccc(cc1)C)c1ccc(cc1)C
• InChI: InChI=1S/C21H21PS/c1-16-4-10-19(11-5-16)22(23,20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21/h4-15H,1-3H3
• InChIKey: ITFYRQZRIAGVPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(4-methylphenyl)-$l^{5}-phosphanethione
• IUPAC Traditional name: tris(4-methylphenyl)-$l^{5}-phosphanethione
• Synonyms: tri(4-methylphenyl)phosphine sulphide

Database IDs

• MDL Number: MFCD00087367
• PubChem SID: 162070126
• PubChem CID: 630688

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.891
• LogD (pH = 7.4): 6.891
• Log P: 6.891
• Molar Refractivity: 106.1803 cm^3
• Polarizability: 41.552643 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false