- InChI
- InChI=1S/C16H16N2O2S/c1-2-20-15(19)12-8-10-14(11-9-12)18-16(21)17-13-6-4-3-5-7-13/h3-11H,2H2,1H3,(H2,17,18,21)
- InChI Key
- FUBMAKIAKSVODK-UHFFFAOYSA-N
- Formula
- C16H16N2O2S
- SMILES
-
CCOC(=O)c1ccc(NC(=S)Nc2ccccc2)
cc1 - Molecular Weight1
- 300.38
- CAS
- 1158-23-2
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion 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).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | 360.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 96.66 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.18 | kJ/mol | Joback Calculated Property |
| log10WS | -4.73 | Crippen Calculated Property | |
| logPoct/wat | 3.672 | Crippen Calculated Property | |
| McVol | 228.230 | ml/mol | McGowan Calculated Property |
| Pc | 2648.83 | kPa | Joback Calculated Property |
| Tboil | 870.49 | K | Joback Calculated Property |
| Tc | 1117.98 | K | Joback Calculated Property |
| Tfus | 547.19 | K | Joback Calculated Property |
| Vc | 0.846 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [645.60; 706.70] | J/mol×K | [870.49; 1117.98] | 
|
| Cp,gas | 645.60 | J/mol×K | 870.49 | Joback Calculated Property |
| Cp,gas | 657.83 | J/mol×K | 911.74 | Joback Calculated Property |
| Cp,gas | 669.09 | J/mol×K | 952.99 | Joback Calculated Property |
| Cp,gas | 679.50 | J/mol×K | 994.24 | Joback Calculated Property |
| Cp,gas | 689.16 | J/mol×K | 1035.49 | Joback Calculated Property |
| Cp,gas | 698.19 | J/mol×K | 1076.73 | Joback Calculated Property |
| Cp,gas | 706.70 | J/mol×K | 1117.98 | Joback Calculated Property |
Similar Compounds
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)
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