- InChI
- InChI=1S/C16H13N3O4S2/c1-11-2-4-12(5-3-11)15-10-24-16(17-15)18-25(22,23)14-8-6-13(7-9-14)19(20)21/h2-10H,1H3,(H,17,18)
- InChI Key
- DRCWRKIFOBIOQG-UHFFFAOYSA-N
- Formula
- C16H13N3O4S2
- SMILES
-
Cc1ccc(-c2csc(NS(=O)(=O)c3ccc(
[N+](=O)[O-])cc3)n2)cc1 - Molecular Weight1
- 375.42
- CAS
- 330593-31-2
- 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 | 0.8357 | Relay (1.0) Calculated Property | |
| ΔfG° | 265.09 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -19.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 144.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.828 | Crippen Calculated Property | |
| McVol | 251.140 | ml/mol | McGowan Calculated Property |
| Pc | 2808.64 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [3581.00; 3581.00] |
|
|
| Inp | 3581.00 | NIST | |
| Inp | 3581.00 | NIST | |
| Tboil | 724.75 | K | Relay (1.0) Calculated Property |
| Tc | 1106.20 | K | Relay (1.0) Calculated Property |
| Tfus | 497.89 | K | Relay (1.0) Calculated Property |
| Vc | 0.870 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 4-Nitro-N-(4-p-tolyl-thiazol-2-yl)-benzenesulfonamide.
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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