- InChI
- InChI=1S/C9H7NS2/c11-9-10-8(6-12-9)7-4-2-1-3-5-7/h1-6H,(H,10,11)
- InChI Key
- CYCKHTAVNBPQDB-UHFFFAOYSA-N
- Formula
- C9H7NS2
- SMILES
- Sc1nc(-c2ccccc2)cs1
- Molecular Weight1
- 193.29
- CAS
- 2103-88-0
- Other Names
-
- 2(3H)-Thiazolethione, 4-phenyl-
- 4-Phenyl-2-mercaptothiazole
- 4-Phenylthiazole-2-thiol
- 4-Thiazoline-2-thione, 4-phenyl-
- 4-phenylthiazole-2(3H)-thione
- 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 | 0.3897 | Relay (1.0) Calculated Property | |
| ΔfG° | 274.45 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 265.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 97.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.90 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.099 | Crippen Calculated Property | |
| McVol | 137.130 | ml/mol | McGowan Calculated Property |
| Pc | 4776.67 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 567.39 | K | Relay (1.0) Calculated Property |
| Tc | 847.59 | K | Relay (1.0) Calculated Property |
| Tfus | 421.05 | K | Relay (1.0) Calculated Property |
| Vc | 0.474 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-Mercapto-4-phenylthiazole.
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
- McGowan Method
- NIST Webbook
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