tris(thiophen-2-yl)-$l^{5}-phosphanethione

• ChemBase ID: 86252
• Molecular Formular: C12H9PS4
• Molecular Mass: 312.433621
• Monoisotopic Mass: 311.93247092
• SMILES: P(=S)(c1cccs1)(c1cccs1)c1cccs1
• Canonical SMILES: S=P(c1cccs1)(c1cccs1)c1cccs1
• InChI: InChI=1S/C12H9PS4/c14-13(10-4-1-7-15-10,11-5-2-8-16-11)12-6-3-9-17-12/h1-9H
• InChIKey: VJXPPEHCZFCFOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(thiophen-2-yl)-$l^{5}-phosphanethione
• IUPAC Traditional name: tris(thiophen-2-yl)-$l^{5}-phosphanethione
• Synonyms: tri(2-thienyl)phosphine sulphide

Database IDs

• MDL Number: MFCD01313249
• PubChem SID: 162073368
• PubChem CID: 312424

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.2711
• LogD (pH = 7.4): 4.2711
• Log P: 4.2711
• Molar Refractivity: 79.8538 cm^3
• Polarizability: 32.11431 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true