- InChI
- InChI=1S/C10H12N2S/c1-2-8-11-10(13)12-9-6-4-3-5-7-9/h2-7H,1,8H2,(H2,11,12,13)
- InChI Key
- RJTICPGQFMYYEG-UHFFFAOYSA-N
- Formula
- C10H12N2S
- SMILES
- C=CCNC(=S)Nc1ccccc1
- Molecular Weight1
- 192.28
- CAS
- 7341-63-1
- Other Names
-
- N-Allyl-N'-phenylthiourea
- Allylphenylthiourea
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- 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° | 529.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 365.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.06 | kJ/mol | Joback Calculated Property |
| log10WS | -3.13 | Crippen Calculated Property | |
| logPoct/wat | 2.159 | Crippen Calculated Property | |
| McVol | 155.710 | ml/mol | McGowan Calculated Property |
| Pc | 3513.74 | kPa | Joback Calculated Property |
| Tboil | 621.94 | K | Joback Calculated Property |
| Tc | 856.78 | K | Joback Calculated Property |
| Tfus | 375.00 ± 1.00 | K | NIST |
| Vc | 0.575 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [365.57; 428.79] | J/mol×K | [621.94; 856.78] | 
|
| Cp,gas | 365.57 | J/mol×K | 621.94 | Joback Calculated Property |
| Cp,gas | 378.31 | J/mol×K | 661.08 | Joback Calculated Property |
| Cp,gas | 390.04 | J/mol×K | 700.22 | Joback Calculated Property |
| Cp,gas | 400.85 | J/mol×K | 739.36 | Joback Calculated Property |
| Cp,gas | 410.84 | J/mol×K | 778.50 | Joback Calculated Property |
| Cp,gas | 420.13 | J/mol×K | 817.64 | Joback Calculated Property |
| Cp,gas | 428.79 | J/mol×K | 856.78 | Joback Calculated Property |
| Cp,solid | 59.00 | J/mol×K | 323.00 | NIST |
| ΔfusH | 27.61 | kJ/mol | 375.00 | NIST |
| ΔfusS | 73.60 | J/mol×K | 375.00 | NIST |
Similar Compounds
![N-(4-([(anilinocarbothioyl)amino]methyl)-2,3,5,6-tetrachlorobenzyl)-n'-phenylthiourea.](data:image/png;base64,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)
Find more compounds similar to 1-allyl-3-phenyl-2-thiourea.
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