- InChI
- InChI=1S/C4H6N2S/c1-3-5-6-4(2)7-3/h1-2H3
- InChI Key
- JXQGICFGPUAVLJ-UHFFFAOYSA-N
- Formula
- C4H6N2S
- SMILES
- Cc1nnc(C)s1
- Molecular Weight1
- 114.17
- CAS
- 27464-82-0
- Other Names
-
- 2,5-Dimethyl-1,3,4-thiadiazole
- 2,5-Dimethylthiadiazole
- 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 | 0.3176 | Relay (... Calculated Property | |
| ΔfG° | 209.25 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 187.95 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 50.81 | kJ/mol | Relay (... Calculated Property |
| IE | 8.93 | eV | Relay (... Calculated Property |
| log10WS | -0.53 | Relay (... Calculated Property | |
| logPoct/wat | 1.155 | Crippen Calculated Property | |
| McVol | 84.070 | ml/mol | McGowan Calculated Property |
| Pc | 5273.18 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 461.85 | K | Relay (... Calculated Property |
| Tc | 653.04 | K | Relay (... Calculated Property |
| Tfus | 308.90 | K | Relay (... Calculated Property |
| Vc | 0.306 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 1,3,4-Thiadiazole, 2,5-dimethyl-.
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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