Basic information
- CAS
133041-50-6- Standard SMILES
C/C(Nc1ccc(Sc2ccc(N(CCO)CCO)cc2)cc1)=C1/C=CC=CC1.Cl.Cl- InChIKey
MXABUKXVQUNUQJ-LLIZZRELSA-N- Molecular formula
- C24H30Cl2N2O2S
- Average molar mass
- 481.5 g/mol
- Monoisotopic mass
- 480.1405048
Names & identifiers
- Preferred name
- 2,2'-((4-((4-(4-Quinolinylamino)phenyl)thio)phenyl)imino)bis-ethanol dihydrochloride
- IUPAC
- 2-[4-[4-[[(1Z)-1-cyclohexa-2,4-dien-1-ylideneethyl]amino]phenyl]sulfanyl-N-(2-hydroxyethyl)anilino]ethanol;dihydrochloride
Names & synonyms
2,2'-((4-((4-(4-Quinolinylamino)phenyl)thio)phenyl)imino)bis-ethanol dihydrochloride133041-50-6
Database identifiers
- CAS
133041-50-6- PubChem CID
- 3036552
Properties
Computed structural properties
- Topological polar surface area
- 81 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 567
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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