- InChI
- InChI=1S/C10H11N3O2S2/c1-7-6-10(16-12-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6,13H,11H2,1H3
- InChI Key
- JVYKJZPZFIUYAB-UHFFFAOYSA-N
- Formula
- C10H11N3O2S2
- SMILES
-
Cc1cc(NS(=O)(=O)c2ccc(N)cc2)sn
1 - Molecular Weight1
- 269.34
- CAS
- 632-00-8
- Other Names
-
- Benzenesulfonamide, 4-amino-N-(3-methyl-5-isothiazolyl)-
- Amidozol
- Amidozole
- Bidizole
- N1-(3-Methyl-5-isothiazolyl)sulfanilamide
- Sulfamizole
- Sulfanilamide, N1-(3-methyl-5-isothiazolyl)-
- Sulfasomizol
- Sulphasomizole
- 2132 TH
- 3-Methyl-5-sulfanilamidoisothiazole
- Sulphasomisole
- NSC 139593
- 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 | 0.7220 | Relay (1.0) Calculated Property | |
| ΔfG° | 113.22 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -80.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 120.65 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.79 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.835 | Crippen Calculated Property | |
| McVol | 182.920 | ml/mol | McGowan Calculated Property |
| Pc | 3739.05 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 678.61 | K | Relay (1.0) Calculated Property |
| Tc | 999.48 | K | Relay (1.0) Calculated Property |
| Tfus | 443.89 | K | Relay (1.0) Calculated Property |
| Vc | 0.635 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Sulfasomizole.
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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