2-Nitro-3-[(2-nitrothiophen-3-yl)disulfanyl]thiophene
Basic information
- CAS
55116-21-7- Standard SMILES
O=[N+]([O-])c1sccc1SSc1ccsc1[N+](=O)[O-]- InChIKey
PUKJTWJMDNMJFC-UHFFFAOYSA-N- Molecular formula
- C8H4N2O4S4
- Average molar mass
- 320.4 g/mol
- Monoisotopic mass
- 319.90539131
Names & identifiers
- Preferred name
- 2-Nitro-3-[(2-nitrothiophen-3-yl)disulfanyl]thiophene
- IUPAC
- 2-nitro-3-[(2-nitrothiophen-3-yl)disulfanyl]thiophene
Names & synonyms
NSC27379155116-21-7DTXSID90313636bis(2-nitro-3-thienyl) disulfideNSC-2737913,3'-Disulfanediylbis(2-nitrothiophene)
Database identifiers
- CAS
55116-21-7- PubChem CID
- 321587
- DTXSID
DTXSID90313636
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 199 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 302
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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