2-(thiophen-2-ylsulfanyl)thiophene

• ChemBase ID: 82713
• Molecular Formular: C8H6S3
• Molecular Mass: 198.32824
• Monoisotopic Mass: 197.96316319
• SMILES: S(c1cccs1)c1cccs1
• Canonical SMILES: c1csc(c1)Sc1cccs1
• InChI: InChI=1S/C8H6S3/c1-3-7(9-5-1)11-8-4-2-6-10-8/h1-6H
• InChIKey: AKYIWBKPINOXJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(thiophen-2-ylsulfanyl)thiophene
• IUPAC Traditional name: 2-(thiophen-2-ylsulfanyl)thiophene
• Synonyms: 2-(2-thienylthio)thiophene; 2-(2-Thienylthio)thiophene; Di-2-thienyl sulfide

Database IDs

• CAS Number: 3988-99-6
• MDL Number: MFCD00052047
• PubChem SID: 162069832
• PubChem CID: 138094

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.054871
• LogD (pH = 7.4): 4.054871
• Log P: 4.054871
• Molar Refractivity: 51.2735 cm^3
• Polarizability: 20.294928 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 102-104°C/0.9mm
• Flash Point: >100°C(212°F)
• Density: 1.311
• Refractive Index: 1.6490

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%