1,1,2-trimethyl-2-(methylsulfanyl)-1$l^{5}-diphosphane-1-thione

• ChemBase ID: 83000
• Molecular Formular: C4H12P2S2
• Molecular Mass: 186.215602
• Monoisotopic Mass: 185.98556564
• SMILES: P(=S)(P(SC)C)(C)C
• Canonical SMILES: CSP(P(=S)(C)C)C
• InChI: InChI=1S/C4H12P2S2/c1-5(8-4)6(2,3)7/h1-4H3
• InChIKey: YSRHUVJIFFEQEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,2-trimethyl-2-(methylsulfanyl)-1$l^{5}-diphosphane-1-thione
• IUPAC Traditional name: 1,1,2-trimethyl-2-(methylsulfanyl)-1$l^{5}-diphosphane-1-thione
• Synonyms: 1,1,2-trimethyl-2-(methylthio)-1-thioxo-1lambda~5~-diphosphane

Database IDs

• MDL Number: MFCD00123269
• PubChem SID: 162070119
• PubChem CID: 564447

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.8035
• LogD (pH = 7.4): 0.8035
• Log P: 0.8035
• Molar Refractivity: 51.2445 cm^3
• Polarizability: 20.524763 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true