4H-Cyclopenta[2,1-B:3,4-B']Dithiophene

• Catalog Number: ACM389582
• Product Name: 4H-Cyclopenta[2,1-B:3,4-B']Dithiophene
• CAS: 389-58-2
• Category: Thiophenes
• Synonyms: 3,4-Dithia-7H-Cyclopenta[A]Pentalene
• IUPAC Name: 3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
• Molecular Weight: 178.3g/mol
• Molecular Formula: C9H6S2
• Canonical SMILES: C1C2=C(C3=C1C=CS3)SC=C2
• InChI: InChI=1S/C9H6S2/c1-3-10-8-6(1)5-7-2-4-11-9(7)8/h1-4H,5H2
• InChI Key: UITASDKJJNYORO-UHFFFAOYSA-N
• Melting Point: 73-75°C(lit.)
• Appearance: Light Brown Crystalline Powder
• Complexity: 151
• Covalently-Bonded Unit Count: 1
• Exact Mass: 177.991093g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Heavy Atom Count: 11
• Monoisotopic Mass: 177.991093g/mol
• Rotatable Bond Count: 0
• XLogP3: 3