Basic information
- CAS
106636-59-3- Standard SMILES
C1CC[NH2+]CC1.O=C([O-])CSc1c2ccccc2nc2ccc(Cl)cc12- InChIKey
UXLJDDZFILQSMD-UHFFFAOYSA-N- Molecular formula
- C20H21ClN2O2S
- Average molar mass
- 388.9 g/mol
- Monoisotopic mass
- 388.1012268
Names & identifiers
- Preferred name
- Acetic acid, ((2-chloro-9-acridinyl)thio)-, compd. with piperidine (1:1)
- IUPAC
- 2-(2-chloroacridin-9-yl)sulfanylacetate;piperidin-1-ium
Names & synonyms
106636-59-3DTXSID50147712RefChem:315915DTXCID8070203
Database identifiers
- CAS
106636-59-3- PubChem CID
- 60159
Properties
Computed structural properties
- Topological polar surface area
- 94.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 393
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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