- InChI
- InChI=1S/C10H12N6O2S4/c1-5(17)15-7(21-9(13-15)19-3)11-12-8-16(6(2)18)14-10(20-4)22-8/h1-4H3/b11-7-,12-8+
- InChI Key
- SWODMZIVYYKZKL-NTLHZVPKSA-N
- Formula
- C10H12N6O2S4
- SMILES
-
CSc1nn(C(C)=O)c(=NN=c2sc(SC)nn
2C(C)=O)s1 - Molecular Weight1
- 376.50
- CAS
- 109967-13-7
- 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 | 0.8226 | Relay (1.0) Calculated Property | |
| ΔfG° | 403.10 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 236.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 111.91 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.95 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.383 | Crippen Calculated Property | |
| McVol | 241.260 | ml/mol | McGowan Calculated Property |
| Pc | 3084.58 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 642.32 | K | Relay (1.0) Calculated Property |
| Tc | 1007.82 | K | Relay (1.0) Calculated Property |
| Tfus | 464.58 | K | Relay (1.0) Calculated Property |
| Vc | 0.861 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 3-Acetyl-5-methylmercapto-1,3,4-thiadiazolidone-2-azine.
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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