Basic information
- CAS
6338-57-4- Standard SMILES
O=[N+]([O-])c1cc(S(=O)(=O)c2ccc(S)c([N+](=O)[O-])c2)ccc1S- InChIKey
NFMMQGHPLZJWKW-UHFFFAOYSA-N- Molecular formula
- C12H8N2O6S3
- Average molar mass
- 372.4 g/mol
- Monoisotopic mass
- 371.9544495
Names & identifiers
- Preferred name
- 4,4'-Sulfonylbis(2-nitrobenzenethiol)
- IUPAC
- 2-nitro-4-(3-nitro-4-sulfanylphenyl)sulfonylbenzenethiol
Names & synonyms
NSC407646338-57-44,4'-sulfonylbis(2-nitrobenzenethiol)DTXSID209795472-nitro-4-(3-nitro-4-sulfanyl-phenyl)sulfonyl-benzenethiolNSC-407644,4'-Sulfonylbis(2-nitrobenzene-1-thiol)4,4'-Sulfonylbis(2-nitrobenzenethiol)-4-[(4-mercapto-3-nitrophenyl)sulfonyl]-2-nitrophenyl hydrosulfide
Database identifiers
- CAS
6338-57-4- PubChem CID
- 237348
- DTXSID
DTXSID20979547
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 523
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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