- InChI
- InChI=1S/C13H6Br2F6N2O2S/c1-4-22-10(12(16,17)18)9(26-4)11(24)23-8-6(14)2-5(3-7(8)15)25-13(19,20)21/h2-3H,1H3,(H,23,24)
- InChI Key
- WOSNCVAPUOFXEH-UHFFFAOYSA-N
- Formula
- C13H6Br2F6N2O2S
- SMILES
-
Cc1nc(C(F)(F)F)c(C(=O)Nc2c(Br)
cc(OC(F)(F)F)cc2Br)s1 - Molecular Weight1
- 528.06
- CAS
- 130000-40-7
- Other Names
-
- 5-Thiazolecarboxamide, N-[2,6-dibromo-4-(trifluoromethoxy)phenyl]-2-methyl-4-(trifluoromethyl)-
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.7953 | Relay (1.0) Calculated Property | |
| ΔfG° | -1112.06 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1371.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 93.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.57 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.34 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.146 | Crippen Calculated Property | |
| McVol | 240.180 | ml/mol | McGowan Calculated Property |
| Pc | 1712.27 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2190.00 | NIST | |
| Tboil | 626.34 | K | Relay (1.0) Calculated Property |
| Tc | 898.66 | K | Relay (1.0) Calculated Property |
| Tfus | 421.61 | K | Relay (1.0) Calculated Property |
| Vc | 0.840 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Thifluzamide.
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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