- InChI
- InChI=1S/C10H11NO2S/c1-7(12)11-9-4-3-5-10(6-9)14-8(2)13/h3-6H,1-2H3,(H,11,12)
- InChI Key
- WYTMCCIDRRAWCD-UHFFFAOYSA-N
- Formula
- C10H11NO2S
- SMILES
- CC(=O)Nc1cccc(SC(C)=O)c1
- Molecular Weight1
- 209.26
- 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).
- Inp : Non-polar retention indices.
- 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° | 0.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -154.49 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.54 | kJ/mol | Joback Calculated Property |
| log10WS | -2.61 | Crippen Calculated Property | |
| logPoct/wat | 2.284 | Crippen Calculated Property | |
| McVol | 157.470 | ml/mol | McGowan Calculated Property |
| Pc | 3435.91 | kPa | Joback Calculated Property |
| Inp | 2019.10 | NIST | |
| Tboil | 686.55 | K | Joback Calculated Property |
| Tc | 926.64 | K | Joback Calculated Property |
| Tfus | 428.32 | K | Joback Calculated Property |
| Vc | 0.589 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [386.22; 443.70] | J/mol×K | [686.55; 926.64] | 
|
| Cp,gas | 386.22 | J/mol×K | 686.55 | Joback Calculated Property |
| Cp,gas | 398.07 | J/mol×K | 726.56 | Joback Calculated Property |
| Cp,gas | 408.98 | J/mol×K | 766.58 | Joback Calculated Property |
| Cp,gas | 418.97 | J/mol×K | 806.59 | Joback Calculated Property |
| Cp,gas | 428.06 | J/mol×K | 846.61 | Joback Calculated Property |
| Cp,gas | 436.30 | J/mol×K | 886.62 | Joback Calculated Property |
| Cp,gas | 443.70 | J/mol×K | 926.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Aminothiophenol, N,S-diacetyl-.
Sources
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