Bis(4-nitrophenyl)sulfide

• CAS: 1223-31-0
• Catalog Number: ACM1223310
• Category: Other Products
• Molecular Weight: 276.27g/mol
• Molecular Formula: C12H8N2O4S
• IUPAC Name: 1-nitro-4-(4-nitrophenyl)sulfanylbenzene
• Canonical SMILES: C1=CC(=CC=C1[N+](=O)[O-])SC2=CC=C(C=C2)[N+](=O)[O-]
• InChI: InChI=1S/C12H8N2O4S/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8H
• InChI Key: ZZTJMQPRKBNGNX-UHFFFAOYSA-N
• Melting Point: 160.5 °C
• Complexity: 294
• Covalently-Bonded Unit Count: 1
• EC Number: 214-950-0
• Exact Mass: 276.020478g/mol
• Formal Charge: 0
• H-Bond Acceptor: 5
• H-Bond Donor: 0
• Heavy Atom Count: 19
• Monoisotopic Mass: 276.020478g/mol
• NSC Number: 629272;11350
• Rotatable Bond Count: 2
• XLogP3: 3.5