5,5'-Disulfanediylbis(4-nitrothiophene-2-sulfonamide)
Basic information
- CAS
64729-07-3- Standard SMILES
NS(=O)(=O)c1cc([N+](=O)[O-])c(SSc2sc(S(N)(=O)=O)cc2[N+](=O)[O-])s1- InChIKey
TYQRQKLOWNBWFB-UHFFFAOYSA-N- Molecular formula
- C8H6N4O8S6
- Average molar mass
- 478.6 g/mol
- Monoisotopic mass
- 477.8509902
Names & identifiers
- Preferred name
- 5,5'-Disulfanediylbis(4-nitrothiophene-2-sulfonamide)
- IUPAC
- 4-nitro-5-[(3-nitro-5-sulfamoylthiophen-2-yl)disulfanyl]thiophene-2-sulfonamide
Names & synonyms
64729-07-3NSC 273793NSC2737935,5'-Disulfanediylbis(4-nitrothiophene-2-sulfonamide)DTXSID10313638NSC-273793
Database identifiers
- CAS
64729-07-3- PubChem CID
- 321589
- DTXSID
DTXSID10313638
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 336 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 701
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Compound notes
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