- InChI
- InChI=1S/C10H11N3O2S2/c1-7-6-16-10(12-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)
- InChI Key
- KJVQYDYPDFFJMP-UHFFFAOYSA-N
- Formula
- C10H11N3O2S2
- SMILES
-
Cc1csc(NS(=O)(=O)c2ccc(N)cc2)n
1 - Molecular Weight1
- 269.35
- 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 | 0.7070 | Relay (1.0) Calculated Property | |
| ΔfG° | 131.03 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -124.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 117.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.91 | Aq. Solubility Prediction | |
| logPoct/wat | 1.835 | Crippen Calculated Property | |
| McVol | 182.920 | ml/mol | McGowan Calculated Property |
| Pc | 3661.69 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 666.12 | K | Relay (1.0) Calculated Property |
| Tc | 995.18 | K | Relay (1.0) Calculated Property |
| Tfus | 477.48 | K | Relay (1.0) Calculated Property |
| Vc | 0.634 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 4-amino-N-(4-methyl-1,3-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
- Aqueous Solubility Prediction Method
- McGowan Method
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