- InChI
- InChI=1S/C15H16N2S/c1-11-7-3-5-9-13(11)16-15(18)17-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H2,16,17,18)
- InChI Key
- KWPNNZKRAQDVPZ-UHFFFAOYSA-N
- Formula
- C15H16N2S
- SMILES
- Cc1ccccc1NC(=S)Nc1ccccc1C
- Molecular Weight1
- 256.37
- CAS
- 137-97-3
- Other Names
-
- N,N'-di-o-Tolylthiourea
- Thiourea, N,N'-bis(2-methylphenyl)-
- sym-Di-o-tolylthiourea
- Carbanilide, 2,2'-dimethylthio-
- Di-o-toluylthiourea
- Di-o-tolylthiourea
- N,N'-Bis(2-methylphenyl)thiourea
- Urea, 1,3-bis(o-tolyl)-2-thio-
- USAF EK-1651
- 1,3-Bis(o-tolyl)thiourea
- 1,3-Di-o-tolylthiourea
- 2,2'-Dimethylthiocarbanilide
- 1,3-Di-o-tolylthiomocovina
- 1,3-Bis(o-tolyl)-2-thiourea
- Thiourea, 1,3-di-O-tolyl-
- Carbanilide, O,O'-dimethylthio-
- NSC 119321
- 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 | 0.6461 | Relay (1.0) Calculated Property | |
| ΔfG° | 576.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 196.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 111.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.32 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.112 | Crippen Calculated Property | |
| McVol | 206.700 | ml/mol | McGowan Calculated Property |
| Pc | 2746.90 | kPa | Joback Calculated Property |
| Tboil | 620.02 | K | Relay (1.0) Calculated Property |
| Tc | 973.33 | K | Relay (1.0) Calculated Property |
| Tfus | 451.94 | K | Relay (1.0) Calculated Property |
| Vc | 0.713 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [554.32; 625.50] | J/mol×K | [776.30; 1028.41] | 
|
| Cp,gas | 554.32 | J/mol×K | 776.30 | Joback Calculated Property |
| Cp,gas | 568.41 | J/mol×K | 818.32 | Joback Calculated Property |
| Cp,gas | 581.44 | J/mol×K | 860.34 | Joback Calculated Property |
| Cp,gas | 593.53 | J/mol×K | 902.35 | Joback Calculated Property |
| Cp,gas | 604.81 | J/mol×K | 944.37 | Joback Calculated Property |
| Cp,gas | 615.43 | J/mol×K | 986.39 | Joback Calculated Property |
| Cp,gas | 625.50 | J/mol×K | 1028.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-di-o-Tolyl-2-thiourea.
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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