2,5-bis(thiophen-2-ylsulfanyl)thiophene

• ChemBase ID: 192482
• Molecular Formular: C12H8S5
• Molecular Mass: 312.51692
• Monoisotopic Mass: 311.92295526
• SMILES: s1c(Sc2sccc2)ccc1Sc1sccc1
• Canonical SMILES: c1csc(c1)Sc1ccc(s1)Sc1cccs1
• InChI: InChI=1S/C12H8S5/c1-3-9(13-7-1)15-11-5-6-12(17-11)16-10-4-2-8-14-10/h1-8H
• InChIKey: QATPWAAMKAYSGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-bis(thiophen-2-ylsulfanyl)thiophene
• IUPAC Traditional name: 2,5-bis(thiophen-2-ylsulfanyl)thiophene

Database IDs

• PubChem SID: 164248392
• PubChem CID: 1776624

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.3560543
• LogD (pH = 7.4): 6.3560543
• Log P: 6.3560543
• Molar Refractivity: 79.3832 cm^3
• Polarizability: 31.618504 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds