1,4-Di(2-thienyl)-1,4-butanedione

• CAS: 13669-05-1
• Catalog Number: ACM13669051
• Category: Other Products
• Molecular Weight: 250.3g/mol
• Molecular Formula: C12H10O2S2
• IUPAC Name: 1,4-dithiophen-2-ylbutane-1,4-dione
• Canonical SMILES: C1=CSC(=C1)C(=O)CCC(=O)C2=CC=CS2
• InChI: InChI=1S/C12H10O2S2/c13-9(11-3-1-7-15-11)5-6-10(14)12-4-2-8-16-12/h1-4,7-8H,5-6H2
• InChI Key: QJGKCQWQNOPAMG-UHFFFAOYSA-N
• Complexity: 250
• Covalently-Bonded Unit Count: 1
• Exact Mass: 250.012222g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• Heavy Atom Count: 16
• Monoisotopic Mass: 250.012222g/mol
• NSC Number: 671955
• Rotatable Bond Count: 5
• XLogP3: 2.9