![Carbamothioic acid, S-[2-oxo-2-(phenylamino)ethyl] ester](/cid/60-215-6/Carbamothioic-acid-S-2-oxo-2-phenylamino-ethyl-ester.png "Carbamothioic acid, S-[2-oxo-2-(phenylamino)ethyl] ester")
- InChI
- InChI=1S/C9H10N2O2S/c10-9(13)14-6-8(12)11-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,13)(H,11,12)
- InChI Key
- CEINNGQDMFZTJK-UHFFFAOYSA-N
- Formula
- C9H10N2O2S
- SMILES
- NC(=O)SCC(=O)Nc1ccccc1
- Molecular Weight1
- 210.25
- CAS
- 5428-95-5
- Other Names
-
- Acetamide, N-phenyl-2-(carbamoylthio)-
- Acetanilide, 2-(thiocarbamyl)-
- Carbamic acid, thio-, S-ester with 2-mercaptoacetanilide
- Carbaminothioglycolic acid anilide
- NSC 13336
- S-[2-oxo-2-(phenylamino)ethyl] aminomethanethioate
- USAF uctl-1766
- alpha-Mercaptoacetanilide carbamate
- «alpha»-(Thiocarbamyl) acetanilide
- «alpha»-(Thiocarbamyl) acetanilide
- ω : Acentric Factor.
- 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).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.6472 | Relay (1.0) Calculated Property | |
| ΔfG° | 68.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -284.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.65 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.32 | Aq. Solubility Prediction | |
| logPoct/wat | 1.437 | Crippen Calculated Property | |
| McVol | 153.360 | ml/mol | McGowan Calculated Property |
| Pc | 4227.54 | kPa | Joback Calculated Property |
| Tboil | 580.81 | K | Relay (1.0) Calculated Property |
| Tc | 885.57 | K | Relay (1.0) Calculated Property |
| Tfus | 408.52 | K | Relay (1.0) Calculated Property |
| Vc | 0.523 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [391.18; 440.09] | J/mol×K | [731.22; 980.54] | 
|
| Cp,gas | 391.18 | J/mol×K | 731.22 | Joback Calculated Property |
| Cp,gas | 401.66 | J/mol×K | 772.77 | Joback Calculated Property |
| Cp,gas | 411.16 | J/mol×K | 814.33 | Joback Calculated Property |
| Cp,gas | 419.70 | J/mol×K | 855.88 | Joback Calculated Property |
| Cp,gas | 427.35 | J/mol×K | 897.43 | Joback Calculated Property |
| Cp,gas | 434.13 | J/mol×K | 938.99 | Joback Calculated Property |
| Cp,gas | 440.09 | J/mol×K | 980.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbamothioic acid, S-[2-oxo-2-(phenylamino)ethyl] ester.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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