Acetic acid, ((2-chloro-9-acridinyl)thio)-, compd. with 2-(diethylamino)ethanol (1:1)
Basic information
- CAS
106636-61-7- Standard SMILES
CC[NH+](CC)CCO.O=C([O-])CSc1c2ccccc2nc2ccc(Cl)cc12- InChIKey
IBTRDPQRNZJDSS-UHFFFAOYSA-N- Molecular formula
- C21H25ClN2O3S
- Average molar mass
- 421 g/mol
- Monoisotopic mass
- 420.1274415
Names & identifiers
- Preferred name
- Acetic acid, ((2-chloro-9-acridinyl)thio)-, compd. with 2-(diethylamino)ethanol (1:1)
- IUPAC
- 2-(2-chloroacridin-9-yl)sulfanylacetate;diethyl(2-hydroxyethyl)azanium
Names & synonyms
106636-61-7DTXSID70147714RefChem:315912DTXCID8070205N,N-Diethyl-2-hydroxyethan-1-aminium [(2-chloroacridin-9-yl)sulfanyl]acetate
Database identifiers
- CAS
106636-61-7- PubChem CID
- 60161
- DTXSID
DTXSID70147714
Properties
Computed structural properties
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 406
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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