2,2'-Disulfanediylbis(5-nitrothiophene)
Basic information
- CAS
64729-00-6- Standard SMILES
O=[N+]([O-])c1ccc(SSc2ccc([N+](=O)[O-])s2)s1- InChIKey
AWQVBIYLXDVZJU-UHFFFAOYSA-N- Molecular formula
- C8H4N2O4S4
- Average molar mass
- 320.4 g/mol
- Monoisotopic mass
- 319.90539131
Names & identifiers
- Preferred name
- 2,2'-Disulfanediylbis(5-nitrothiophene)
- IUPAC
- 2-nitro-5-[(5-nitrothiophen-2-yl)disulfanyl]thiophene
Names & synonyms
64729-00-6NSC2737902,2'-Disulfanediylbis(5-nitrothiophene)DTXSID30313635NSC-273790
Database identifiers
- CAS
64729-00-6- PubChem CID
- 321586
- DTXSID
DTXSID30313635
Properties
Computed structural properties
- XLogP
- 4.4
- 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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