Bis(5-nitropyridin-2-YL)sulfane
Basic information
- CAS
2127-11-9- Standard SMILES
O=[N+]([O-])c1ccc(Sc2ccc([N+](=O)[O-])cn2)nc1- InChIKey
FEXMVHNVTSLEAK-UHFFFAOYSA-N- Molecular formula
- C10H6N4O4S
- Average molar mass
- 278.25 g/mol
- Monoisotopic mass
- 278.01097586
Names & identifiers
- Preferred name
- Bis(5-nitropyridin-2-YL)sulfane
- IUPAC
- 5-nitro-2-[(5-nitro-2-pyridinyl)sulfanyl]pyridine
- English name
- Bis(5-nitropyridin-2-yl)sulfane
- Molecular formula
- C10H6N4O4S
- Molecular weight
- 278.24404
Names & synonyms
BIS(5-NITROPYRIDIN-2-YL)SULFANE2127-11-95-nitro-2-(5-nitropyridin-2-yl)sulfanylpyridine5-Nitro-2-[(5-nitropyridin-2-yl)sulfanyl]pyridineMFCD01924353NSC5073045-nitropyrid-2-yl sulfideBis[5-nitro-2-pyridyl]sulfideSCHEMBL35067292,2'-thiobis(5-nitropyridine)DTXSID90325436FEXMVHNVTSLEAK-UHFFFAOYSA-N
Show more names
Pyridine, 2,2'-thiobis[5-nitro- (7CI,8CI,9CI)
2,2'-Sulfanediylbis(5-nitropyridine)AKOS015833306NSC-507304BS-27943DB-318779CS-0213280ST452730565-nitro-2-[(5-nitro-2-pyridyl)sulfanyl]pyridine
Database identifiers
- CAS
2127-11-9- PubChem CID
- 350113
- DTXSID
DTXSID90325436
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 313
Physicochemical properties
- Melting point
- 136 · 136-137 °C
- Boiling point
- 539.4 · 539.4±50.0 °C(Predicted)
- Density
- 1.6 · 1.60±0.1 g/cm3(Predicted)
- pka
- -2.78 · -2.78±0.29(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 302 · P302+P352-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P302+P352-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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