Basic information
- CAS
6966-19-4- Standard SMILES
O=S(=O)(O)c1ccc(Sc2ccc(S(=O)(=O)O)cc2)cc1- InChIKey
MSSOQDMBUKCNTK-UHFFFAOYSA-N- Molecular formula
- C12H10O6S3
- Average molar mass
- 346.4 g/mol
- Monoisotopic mass
- 345.96395156
Names & identifiers
- Preferred name
- 4,4'-Thiodibenzenesulfonic acid
- IUPAC
- 4-(4-sulfophenyl)sulfanylbenzenesulfonic acid
Names & synonyms
4,4'-Thiodibenzenesulfonic acid6966-19-4NSC 18748DTXSID80219956RefChem:284681DTXCID301424474-(4-sulfophenyl)sulfanylbenzenesulfonic acidNSC1874819878-55-84,4/'-Thiobis(benzenesulfonic acid)disulfo-diphenyl sulfideSCHEMBL979380
Show more names
4,4'-Sulfanediyldi(benzene-1-sulfonic acid)
Database identifiers
- CAS
6966-19-4- PubChem CID
- 409137
- DTXSID
DTXSID80219956- Nikkaji
- J355.011G
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 479
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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