Basic information
- CAS
5122-69-0- Standard SMILES
C[N+](C)(C)CCCN1c2ccccc2S(=O)c2ccc(Cl)cc21- InChIKey
NTLUSIBKSWJYOE-UHFFFAOYSA-N- Molecular formula
- C18H22ClN2OS+
- Average molar mass
- 349.9 g/mol
- Monoisotopic mass
- 349.1141372
Names & identifiers
- Preferred name
- 3-(2-Chloro-5-oxo-5lambda~4~-phenothiazin-10(5H)-yl)-N,N,N-trimethylpropan-1-aminium
- IUPAC
- 3-(2-chloro-5-oxophenothiazin-10-yl)propyl-trimethylazanium
Names & synonyms
5122-69-0SCHEMBL9570366DTXSID003293293-(2-Chloro-5-oxo-5lambda~4~-phenothiazin-10(5H)-yl)-N,N,N-trimethylpropan-1-aminium
Database identifiers
- CAS
5122-69-0- PubChem CID
- 419487
- DTXSID
DTXSID00329329- Nikkaji
- J812.344F
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 1
- Complexity
- 439
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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