- InChI
- InChI=1S/C20H23NS/c1-21-12-6-7-15(14-21)13-18-16-8-2-4-10-19(16)22-20-11-5-3-9-17(18)20/h2-5,8-11,15,18H,6-7,12-14H2,1H3
- InChI Key
- MJFJKKXQDNNUJF-UHFFFAOYSA-N
- Formula
- C20H23NS
- SMILES
-
CN1CCCC(CC2c3ccccc3Sc3ccccc32)
C1 - Molecular Weight1
- 309.47
- CAS
- 4969-02-2
- Other Names
-
- Piperidine, 1-methyl-3-(9H-thioxanthen-9-ylmethyl)-
- Piperidine, 1-methyl-3-(thioxanthen-9-ylmethyl)-
- Methixen
- 1-Methyl-3-(thioxanthen-9-ylmethyl) piperidine
- Methixene
- 1-Methyl-3-(9H-thioxanthen-9-ylmethyl)piperidine
- 60 SJ 1977
- Tremaril
- Tremonil
- Trest
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| log10WS | -5.35 | Crippen Calculated Property | |
| logPoct/wat | 5.015 | Crippen Calculated Property | |
| McVol | 249.750 | ml/mol | McGowan Calculated Property |
| Inp | [2461.00; 2480.00] |
|
|
| Inp | 2470.00 | NIST | |
| Inp | 2480.00 | NIST | |
| Inp | 2461.00 | NIST | |
| Inp | 2461.00 | NIST |
Similar Compounds
Find more compounds similar to Metixene.
Sources
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