Basic information
- CAS
78649-04-4- Standard SMILES
O=[N+]([O-])c1ccccc1Sc1cccc(Sc2ccccc2[N+](=O)[O-])n1- InChIKey
HIPQXUQZXCERFH-UHFFFAOYSA-N- Molecular formula
- C17H11N3O4S2
- Average molar mass
- 385.4 g/mol
- Monoisotopic mass
- 385.01909819
Names & identifiers
- Preferred name
- 2,6-Bis[(2-nitrophenyl)sulfanyl]pyridine
- IUPAC
- 2,6-bis[(2-nitrophenyl)sulfanyl]pyridine
Names & synonyms
78649-04-42,6-bis[(2-nitrophenyl)sulfanyl]pyridineNSC375961DTXSID00321449NSC-375961
Database identifiers
- CAS
78649-04-4- PubChem CID
- 341852
- DTXSID
DTXSID00321449
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 457
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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