- InChI
- InChI=1S/C13H12N2S/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16)
- InChI Key
- FCSHMCFRCYZTRQ-UHFFFAOYSA-N
- Formula
- C13H12N2S
- SMILES
- SC(=Nc1ccccc1)Nc1ccccc1
- Molecular Weight1
- 228.31
- CAS
- 102-08-9
- Other Names
-
- Carbanilide, thio-
- s-Diphenylthiocarbamide
- s-Diphenylthiourea
- Diphenylthiourea
- N,N'-Diphenylthiocarbamide
- N,N'-Diphenylthiourea
- Stabilisator C
- Sulfocarbanilide
- Thiocarbanilide
- Vulkacit CA
- 1,3-Diphenyl-2-thiourea
- 1,3-Diphenylthiourea
- sym-Diphenylthiourea
- Rhenocure CA
- Thiourea, s-diphenyl-
- Urea, 1,3-diphenyl-2-thio-
- USAF EK-245
- DFT
- 1,3-Difenylthiomocovina
- 2-Fenylotiomocznik
- Thiokarbanilid
- Thiourea, sym-diphenyl-
- Urea, diphenylthio-
- Nocceler C
- DPTU
- N,N'-Diphenylsulfourea
- Stabilizer C
- NSC 28134
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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 | 0.5948 | Relay (1.0) Calculated Property | |
| ΔfG° | 381.65 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 313.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 102.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.44 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.716 | Crippen Calculated Property | |
| McVol | 178.520 | ml/mol | McGowan Calculated Property |
| Pc | 2995.87 | kPa | Joback Calculated Property |
| Tboil | 597.87 | K | Relay (1.0) Calculated Property |
| Tc | 944.00 | K | Relay (1.0) Calculated Property |
| Tfus | 439.93 | K | Relay (1.0) Calculated Property |
| Vc | 0.613 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Thiourea, N,N'-diphenyl-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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