3-DI CYANO METHYLIDINE-2,3-DIHYDROXYTHIOPHENE-3-YIDINO

• CAS: 74228-25-4
• Catalog Number: ACM74228254
• Category: Other Products
• Molecular Weight: 230.24g/mol
• Molecular Formula: C11H6N2O2S
• Synonyms: 3-DI CYANO METHYLIDINE-2,3-DIHYDROXYTHIOPHENE-3-YIDINO
• IUPAC Name: 2-(1,1-dioxo-1-benzothiophen-3-ylidene)propanedinitrile
• Canonical SMILES: C1C(=C(C#N)C#N)C2=CC=CC=C2S1(=O)=O
• InChI: InChI=1S/C11H6N2O2S/c12-5-8(6-13)10-7-16(14,15)11-4-2-1-3-9(10)11/h1-4H,7H2
• InChI Key: MIBIVAHVPBKGES-UHFFFAOYSA-N
• Complexity: 518
• Covalently-Bonded Unit Count: 1
• EC Number: 616-064-3
• Exact Mass: 230.014999g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• Heavy Atom Count: 16
• Monoisotopic Mass: 230.014999g/mol
• Rotatable Bond Count: 0
• XLogP3: 0.4