- InChI
- InChI=1S/C6H4N2S/c1-2-4-6-5(3-1)7-8-9-6/h1-4H
- InChI Key
- FNQJDLTXOVEEFB-UHFFFAOYSA-N
- Formula
- C6H4N2S
- SMILES
- c1ccc2snnc2c1
- Molecular Weight1
- 136.17
- CAS
- 273-77-8
- 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 | 0.3768 | Relay (... Calculated Property | |
| ΔfG° | 316.84 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 336.38 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 81.58 | kJ/mol | Relay (... Calculated Property |
| IE | 9.08 | eV | Relay (... Calculated Property |
| log10WS | -1.80 | Relay (... Calculated Property | |
| logPoct/wat | 1.691 | Crippen Calculated Property | |
| McVol | 92.790 | ml/mol | McGowan Calculated Property |
| Pc | 5985.04 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 516.13 | K | Relay (... Calculated Property |
| Tc | 793.86 | K | Relay (... Calculated Property |
| Tfus | 313.45 | K | Relay (... Calculated Property |
| Vc | 0.351 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 1,2,3-Benzothiadiazole.
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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