- InChI
- InChI=1S/C14H11NS2/c1-11-6-8-12(9-7-11)17-14-5-3-2-4-13(14)15-10-16/h2-9H,1H3
- InChI Key
- QVKIECYUJHTRKK-UHFFFAOYSA-N
- Formula
- C14H11NS2
- SMILES
- Cc1ccc(Sc2ccccc2N=C=S)cc1
- Molecular Weight1
- 257.37
- CAS
- 81431-97-2
- 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 | 443.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.89 | kJ/mol | Joback Calculated Property |
| log10WS | -5.28 | Crippen Calculated Property | |
| logPoct/wat | 4.881 | Crippen Calculated Property | |
| McVol | 194.680 | ml/mol | McGowan Calculated Property |
| Pc | 2796.51 | kPa | Joback Calculated Property |
| Tboil | 797.77 | K | Joback Calculated Property |
| Tc | 1092.02 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-(4-Methylphenylthio)phenyl isothiocyanate.
Sources
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