Basic information
- CAS
314-00-1- Standard SMILES
CN1CCC(=C2c3ccccc3S(=O)c3cc(Cl)ccc32)CC1- InChIKey
HWKBRTDQHNKYFQ-UHFFFAOYSA-N- Molecular formula
- C19H18ClNOS
- Average molar mass
- 343.9 g/mol
- Monoisotopic mass
- 343.0797631
Names & identifiers
- Preferred name
- 3-Chloro-9-(N-methyl-4-piperidylidene)thioxanthene 10-oxide
- IUPAC
- 3-chloro-9-(1-methylpiperidin-4-ylidene)thioxanthene 10-oxide
Names & synonyms
9V119IY0RMUNII-9V119IY0RM3-Chloro-9-(N-methyl-4-piperidylidene)thioxanthene 10-oxide314-00-13-Chloro-9-(1-methylpiperidylidene-4)thioxanthene-10-oxidePiperidine, 4-(3-chloro-10-oxido-9H-thioxanthen-9-ylidene)-1-methyl-Piperidine, 4-(3-chloro-9H-thioxanthen-9-ylidene)-1-methyl-, S-oxide
Database identifiers
- CAS
314-00-1- PubChem CID
- 31741
- UNII
- 9V119IY0RM
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 39.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 509
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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