Basic information
- CAS
60872-43-7- Standard SMILES
CC(=O)SCC[N+](C)(C)C(=O)Cc1ccc(-c2ccc(CC(=O)[N+](C)(C)CCSC(C)=O)cc2)cc1.[Br-].[Br-]- InChIKey
JLUHGMOKFOPQNN-UHFFFAOYSA-L- Molecular formula
- C28H38Br2N2O4S2
- Average molar mass
- 690.6 g/mol
- Monoisotopic mass
- 688.06398
Names & identifiers
- Preferred name
- Ammonium, (4,4'-biphenylenebis(2-oxoethylene))bis((2-acetylthioethyl)dimethyl-, dibromide
- IUPAC
- 2-acetylsulfanylethyl-[2-[4-[4-[2-[2-acetylsulfanylethyl(dimethyl)azaniumyl]-2-oxoethyl]phenyl]phenyl]acetyl]-dimethylazanium dibromide
- English name
- 4,4'-Biphenylenebis(2-oxoethylenebis(2-acetylthioethyl)dimethylammonium) dibromide
- Molecular formula
- C28H38N2O4S2.2Br
- Molecular weight
- 690.558
Names & synonyms
Thio-Achc-360872-43-74,4'-Biphenylenebis(2-oxoethylenebis(2-acetylthioethyl)dimethylammonium) dibromideAmmonium, (4,4'-biphenylenebis(2-oxoethylene))bis((2-acetylthioethyl)dimethyl-, dibromideRefChem:318891DTXSID009763522,2'-([1,1'-Biphenyl]-4,4'-diyl)bis{N-[2-(acetylsulfanyl)ethyl]-N,N-dimethylethanamidium} dibromide
Database identifiers
- CAS
60872-43-7- PubChem CID
- 43500
- DTXSID
DTXSID00976352
Properties
Computed structural properties
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 13
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 704
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…