2-(thiophen-3-ylsulfanyl)thiophene

• ChemBase ID: 82714
• Molecular Formular: C8H6S3
• Molecular Mass: 198.32824
• Monoisotopic Mass: 197.96316319
• SMILES: s1c(ccc1)Sc1cscc1
• Canonical SMILES: s1ccc(c1)Sc1cccs1
• InChI: InChI=1S/C8H6S3/c1-2-8(10-4-1)11-7-3-5-9-6-7/h1-6H
• InChIKey: XZMYDSUNRUYCNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(thiophen-3-ylsulfanyl)thiophene
• IUPAC Traditional name: 2-(thiophen-3-ylsulfanyl)thiophene
• Synonyms: 2-(3-thienylthio)thiophene

Database IDs

• CAS Number: 3807-37-2
• MDL Number: MFCD00052048
• PubChem SID: 162069833
• PubChem CID: 607738

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.8888752
• LogD (pH = 7.4): 3.8888752
• Log P: 3.8888752
• Molar Refractivity: 52.1136 cm^3
• Polarizability: 20.282785 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%