Benzenesulfonic acid, 2,2'-dithiobis[5-methyl-, compd. with benzenamine (1:2)
Basic information
- CAS
63468-80-4- Standard SMILES
Cc1ccc(SSc2ccc(C)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1.Nc1ccccc1.Nc1ccccc1- InChIKey
KDGDGLGNCNNLOL-UHFFFAOYSA-N- Molecular formula
- C26H28N2O6S4
- Average molar mass
- 592.8 g/mol
- Monoisotopic mass
- 592.08302131
Names & identifiers
- Preferred name
- Benzenesulfonic acid, 2,2'-dithiobis[5-methyl-, compd. with benzenamine (1:2)
- IUPAC
- aniline;5-methyl-2-[(4-methyl-2-sulfophenyl)disulfanyl]benzenesulfonic acid
Names & synonyms
63468-80-4DTXSID1069902RefChem:117785DTXCID00439252,2'-Disulfanediylbis(5-methylbenzene-1-sulfonic acid)--aniline (1/2)
Database identifiers
- CAS
63468-80-4- PubChem CID
- 113288
- DTXSID
DTXSID1069902
Properties
Computed structural properties
- Topological polar surface area
- 228 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 611
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonic acid, 2,2'-dithiobis[5-methyl-, compd. with benzenamine (1:2): INACTIVE
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…