- InChI
- InChI=1S/C16H18N2S/c1-17(2)11-12-18-13-7-3-5-9-15(13)19-16-10-6-4-8-14(16)18/h3-10H,11-12H2,1-2H3
- InChI Key
- PFAXACNYGZVKMX-UHFFFAOYSA-N
- Formula
- C16H18N2S
- SMILES
- CN(C)CCN1c2ccccc2Sc2ccccc21
- Molecular Weight1
- 270.39
- CAS
- 522-24-7
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| IE | 8.25 ± 0.07 | eV | NIST |
| log10WS | -3.66 | Crippen Calculated Property | |
| logPoct/wat | 3.851 | Crippen Calculated Property | |
| McVol | 214.230 | ml/mol | McGowan Calculated Property |
Similar Compounds
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Sources
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