- InChI
- InChI=1S/C13H16N2S/c1-10-9-13(2,3)15-12(16-10)14-11-7-5-4-6-8-11/h4-9H,1-3H3,(H,14,15)
- InChI Key
- NIESPHSLDFVWAU-UHFFFAOYSA-N
- Formula
- C13H16N2S
- SMILES
- CC1=CC(C)(C)NC(=Nc2ccccc2)S1
- Molecular Weight1
- 232.34
- CAS
- 27058-61-3
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | 164.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.75 | kJ/mol | Joback Calculated Property |
| log10WS | -4.55 | Crippen Calculated Property | |
| logPoct/wat | 3.693 | Crippen Calculated Property | |
| McVol | 187.120 | ml/mol | McGowan Calculated Property |
| Pc | 2568.89 | kPa | Joback Calculated Property |
| Tboil | 722.99 | K | Joback Calculated Property |
| Tc | 997.65 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4,4,6-Trimethyl-2-phenylimino-4H-1,3-thiazine.
Sources
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