- InChI
- InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3
- InChI Key
- KLBQZWRITKRQQV-UHFFFAOYSA-N
- Formula
- C21H26N2S2
- SMILES
-
CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c
cccc1S2 - Molecular Weight1
- 370.57
- CAS
- 50-52-2
- Other Names
-
- 10H-Phenothiazine, 10-[2-(1-methyl-2-piperidinyl)ethyl]-2-(methylthio)-
- Phenothiazine, 10-[2-(1-methyl-2-piperidyl)ethyl]-2-(methylthio)-
- Mallorol
- Malloryl
- Meleril
- Mellerets
- Mellerette
- Melleretten
- Melleril
- Sonapax
- Thioridazin
- Thioridazine, prolongatum
- TP-21
- Phenothiazine, 10-((1-methyl-2-piperidyl)ethyl)-2-(methylthio)-
- Mellarit
- 2-Methylmercapto-10-(2-(N-methyl-2-piperidyl)ethyl)phenothiazine
- 10-(2-(1-Methyl-2-piperidyl)ethyl)-2-(methylthio)phenothiazine
- Mellaril-S
- 10H-Phenothiazine, 10-[2-(1-methyl-2-piperidyl)ethyl]-2-methylthio-
- (.+/-.)-Thioridazine
- dl-Thioridazine
- Melleril (liquid)
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| IE | [7.00; 7.20] | eV |
|
| IE | 7.20 ± 0.05 | eV | NIST |
| IE | 7.00 ± 0.08 | eV | NIST |
| log10WS | -6.09 | Crippen Calculated Property | |
| logPoct/wat | 5.886 | Crippen Calculated Property | |
| McVol | 290.170 | ml/mol | McGowan Calculated Property |
| Inp | [3070.00; 3135.00] |
|
|
| Inp | 3100.00 | NIST | |
| Inp | 3116.00 | NIST | |
| Inp | 3120.00 | NIST | |
| Inp | 3114.00 | NIST | |
| Inp | 3094.00 | NIST | |
| Inp | 3117.00 | NIST | |
| Inp | 3117.00 | NIST | |
| Inp | 3080.00 | NIST | |
| Inp | 3105.00 | NIST | |
| Inp | Outlier 3070.00 | NIST | |
| Inp | 3104.00 | NIST | |
| Inp | 3114.00 | NIST | |
| Inp | 3125.00 | NIST | |
| Inp | 3100.00 | NIST | |
| Inp | 3135.00 | NIST | |
| Inp | 3125.00 | NIST | |
| Inp | 3105.00 | NIST | |
| Inp | 3080.00 | NIST | |
| Inp | 3114.00 | NIST | |
| Inp | 3114.00 | NIST | |
| Inp | 3105.00 | NIST |
Similar Compounds
Find more compounds similar to Thioridazine.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.