- InChI
- InChI=1S/C6H8N2S2/c9-5-7-3-1-2-4-8-6-10/h1-4H2
- InChI Key
- RRSISCMPUAGVJN-UHFFFAOYSA-N
- Formula
- C6H8N2S2
- SMILES
- S=C=NCCCCN=C=S
- Molecular Weight1
- 172.27
- CAS
- 4430-51-7
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | 400.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.83 | kJ/mol | Joback Calculated Property |
| log10WS | -2.20 | Crippen Calculated Property | |
| logPoct/wat | 1.972 | Crippen Calculated Property | |
| McVol | 130.860 | ml/mol | McGowan Calculated Property |
| Pc | 3265.31 | kPa | Joback Calculated Property |
| Tboil | 628.58 | K | Joback Calculated Property |
| Tc | 885.40 | K | Joback Calculated Property |
Similar Compounds
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Sources
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