1,1'-[Disulfanediylbis(4-nitro-3-phenylthiene-5,2-diyl)]di(ethan-1-one)
Basic information
- CAS
74462-77-4- Standard SMILES
CC(=O)c1sc(SSc2sc(C(C)=O)c(-c3ccccc3)c2[N+](=O)[O-])c([N+](=O)[O-])c1-c1ccccc1- InChIKey
YLFQWLKLCRXZEQ-UHFFFAOYSA-N- Molecular formula
- C24H16N2O6S4
- Average molar mass
- 556.7 g/mol
- Monoisotopic mass
- 555.98912093
Names & identifiers
- Preferred name
- 1,1'-[Disulfanediylbis(4-nitro-3-phenylthiene-5,2-diyl)]di(ethan-1-one)
- IUPAC
- 1-[5-[(5-acetyl-3-nitro-4-phenylthiophen-2-yl)disulfanyl]-4-nitro-3-phenylthiophen-2-yl]ethanone
Names & synonyms
74462-77-4NSC314261DTXSID703173141,1'-[Disulfanediylbis(4-nitro-3-phenylthiene-5,2-diyl)]di(ethan-1-one)NSC-3142611,1'-[Disulfanediylbis(4-nitro-3-phenylthiophene-5,2-diyl)]di(ethan-1-one)
Database identifiers
- CAS
74462-77-4- PubChem CID
- 329784
- DTXSID
DTXSID70317314
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 233 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 771
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Compound notes
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