- InChI
- InChI=1S/C7H8N2S/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)
- InChI Key
- FULZLIGZKMKICU-UHFFFAOYSA-N
- Formula
- C7H8N2S
- SMILES
- NC(=S)Nc1ccccc1
- Molecular Weight1
- 152.22
- CAS
- 103-85-5
- Other Names
-
- 1-Phenyl-2-Thiourea
- 1-Phenylthiourea
- Fenylthiomocovina
- N-Phenylthiourea
- NCI-C02017
- NSC 5779
- PTU
- Phenyl-2-thiourea
- Phenylthiocarbamide
- Phenylthiourea
- Rcra waste number P093
- Thiourea, N-phenyl-
- U 6324
- USAF EK-1569
- Urea, 1-phenyl-2-thio-
- «alpha»-Phenylthiourea
- «alpha»-Phenylthiourea
- 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 | 0.5551 | Relay (1.0) Calculated Property | |
| ΔfG° | 393.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 118.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.10 | eV | NIST |
| log10WS | [-1.77; -1.77] |
|
|
| log10WS | -1.77 | Aq. Solubility Prediction | |
| log10WS | -1.77 | Estimated Solubility | |
| logPoct/wat | 1.342 | Crippen Calculated Property | |
| McVol | 117.740 | ml/mol | McGowan Calculated Property |
| Pc | 5123.98 | kPa | Joback Calculated Property |
| Tboil | 548.18 | K | Relay (1.0) Calculated Property |
| Tc | 861.85 | K | Relay (1.0) Calculated Property |
| Tfus | 424.65 | K | Aq. Solubility Prediction |
| Vc | 0.394 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [255.93; 306.81] | J/mol×K | [578.98; 833.73] |
|
| Cp,gas | 255.93 | J/mol×K | 578.98 | Joback Calculated Property |
| Cp,gas | 266.51 | J/mol×K | 621.44 | Joback Calculated Property |
| Cp,gas | 276.11 | J/mol×K | 663.90 | Joback Calculated Property |
| Cp,gas | 284.83 | J/mol×K | 706.35 | Joback Calculated Property |
| Cp,gas | 292.79 | J/mol×K | 748.81 | Joback Calculated Property |
| Cp,gas | 300.08 | J/mol×K | 791.27 | Joback Calculated Property |
| Cp,gas | 306.81 | J/mol×K | 833.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Thiourea, phenyl-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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