1,2-dimethyl-1,2-diphenyl-1$l^{5},2$l^{5}-diphosphane-1,2-dithione

• ChemBase ID: 83003
• Molecular Formular: C14H16P2S2
• Molecular Mass: 310.354362
• Monoisotopic Mass: 310.01686577
• SMILES: P(=S)(c1ccccc1)(P(=S)(c1ccccc1)C)C
• Canonical SMILES: CP(=S)(P(=S)(c1ccccc1)C)c1ccccc1
• InChI: InChI=1S/C14H16P2S2/c1-15(17,13-9-5-3-6-10-13)16(2,18)14-11-7-4-8-12-14/h3-12H,1-2H3
• InChIKey: LHNGNWXNQAEZLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dimethyl-1,2-diphenyl-1$l^{5},2$l^{5}-diphosphane-1,2-dithione
• IUPAC Traditional name: 1,2-dimethyl-1,2-diphenyl-1$l^{5},2$l^{5}-diphosphane-1,2-dithione
• Synonyms: 1,2-dimethyl-1,2-diphenyl-1,2-dithioxo-1lambda~5~,2lambda~5~-diphosphane

Database IDs

• MDL Number: MFCD00014458
• PubChem SID: 162070122
• PubChem CID: 296005

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.0234
• LogD (pH = 7.4): 4.0234
• Log P: 4.0234
• Molar Refractivity: 92.1076 cm^3
• Polarizability: 36.954758 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true