Basic information
- CAS
98051-84-4- Standard SMILES
O=C(Nc1c([N+](=O)[O-])ccc2ccccc12)c1ccccc1SSc1ccccc1C(=O)Nc1c([N+](=O)[O-])ccc2ccccc12- InChIKey
JKYYUICHZWXQKK-UHFFFAOYSA-N- Molecular formula
- C34H22N4O6S2
- Average molar mass
- 646.7 g/mol
- Monoisotopic mass
- 646.09807678
Names & identifiers
- Preferred name
- 2,2'-Dithiobis(N-(2-nitronaphth-1-yl)benzamide)
- IUPAC
- N-(2-nitronaphthalen-1-yl)-2-[[2-[(2-nitronaphthalen-1-yl)carbamoyl]phenyl]disulfanyl]benzamide
Names & synonyms
2,2'-Dithiobis(N-(2-nitronaphth-1-yl)benzamide)98051-84-42,2'-Dithiobis[N-(2-nitronaphth-1-yl)benzamide]CHEMBL431925DTXSID402433982,2'-Disulfanediylbis[N-(2-nitronaphthalen-1-yl)benzamide]N-(2-nitro-1-naphthyl)-2-[[2-[(2-nitro-1-naphthyl)carbamoyl]phenyl]disulfanyl]benzamide
Database identifiers
- CAS
98051-84-4- PubChem CID
- 457484
- DTXSID
DTXSID40243398- ChEMBL
CHEMBL431925
Properties
Computed structural properties
- XLogP
- 9
- Topological polar surface area
- 200 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,020
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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