- InChI
- InChI=1S/C7H6N2O2S2/c8-13(10,11)7-9-5-3-1-2-4-6(5)12-7/h1-4H,(H2,8,10,11)
- InChI Key
- SDYMYAFSQACTQP-UHFFFAOYSA-N
- Formula
- C7H6N2O2S2
- SMILES
- NS(=O)(=O)c1nc2ccccc2s1
- Molecular Weight1
- 214.27
- 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 | 0.6083 | Relay (1.0) Calculated Property | |
| ΔfG° | 29.69 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -94.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 89.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.89 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.63 | Aq. Solubility Prediction | |
| logPoct/wat | 0.944 | Crippen Calculated Property | |
| McVol | 134.970 | ml/mol | McGowan Calculated Property |
| Pc | 4407.69 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 610.77 | K | Relay (1.0) Calculated Property |
| Tc | 937.78 | K | Relay (1.0) Calculated Property |
| Tfus | 455.26 | K | Relay (1.0) Calculated Property |
| Vc | 0.493 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-benzothiazole-2-sulfonamide.
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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