Basic information
- CAS
64058-59-9- Standard SMILES
O.O.O.O=S([O-])c1cc(Cl)ccc1-c1ccc(Cl)c(SSSc2cc(-c3ccc(Cl)cc3S(=O)[O-])ccc2Cl)c1.[Na+].[Na+]- InChIKey
KCKFGJBLLWMFIL-UHFFFAOYSA-L- Molecular formula
- C24H18Cl4Na2O7S5
- Average molar mass
- 766.5 g/mol
- Monoisotopic mass
- 763.820558
Names & identifiers
- Preferred name
- Benzenesulfinic acid, 2,2'-trithiobis(4-chloro-m-phenylene)bis(5-chloro-, disodium salt, trihydrate
- IUPAC
- disodium;5-chloro-2-[4-chloro-3-[[2-chloro-5-(4-chloro-2-sulfinatophenyl)phenyl]trisulfanyl]phenyl]benzenesulfinate;trihydrate
- English name
- Disodium 2',2'-trithiobis(4,4'-dichloro-2-biphenylsulfinate)
- Molecular formula
- C24H17Cl4NaO5S5
- Molecular weight
- 710.48
Names & synonyms
Benzenesulfinic acid, 2,2'-trithiobis(4-chloro-m-phenylene)bis(5-chloro-, disodium salt, trihydrate64058-59-9Disodium 2',2'-trithiobis(4,4'-dichloro-2-biphenylsulfinate)DTXSID80214229RefChem:325204DTXCID30136720Sodium 3',3'''-(trisulfane-1,3-diyl)bis(4,4'-dichloro[1,1'-biphenyl]-2-sulfinate)--water (2/1/3)
Database identifiers
- CAS
64058-59-9- PubChem CID
- 116499
- DTXSID
DTXSID80214229
Properties
Computed structural properties
- Topological polar surface area
- 198 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 6
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 727
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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