3-Nitro-2-[(3-nitrothiophen-2-yl)disulfanyl]thiophene
Basic information
- CAS
30129-89-6- Standard SMILES
O=[N+]([O-])c1ccsc1SSc1sccc1[N+](=O)[O-]- InChIKey
KPAOFFGYQUUEDB-UHFFFAOYSA-N- Molecular formula
- C8H4N2O4S4
- Average molar mass
- 320.4 g/mol
- Monoisotopic mass
- 319.90539131
Names & identifiers
- Preferred name
- 3-Nitro-2-[(3-nitrothiophen-2-yl)disulfanyl]thiophene
- IUPAC
- 3-nitro-2-[(3-nitrothiophen-2-yl)disulfanyl]thiophene
Names & synonyms
NSC27378930129-89-6DTXSID70313634NSC-2737892,2'-Disulfanediylbis(3-nitrothiophene)
Database identifiers
- CAS
30129-89-6- PubChem CID
- 321585
- DTXSID
DTXSID70313634
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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