- InChI
- InChI=1S/C5H4Cl2N2S/c1-10-5-8-3(6)2-4(7)9-5/h2H,1H3
- InChI Key
- FCMLONIWOAGZJX-UHFFFAOYSA-N
- Formula
- C5H4Cl2N2S
- SMILES
- CSc1nc(Cl)cc(Cl)n1
- Molecular Weight1
- 195.07
- CAS
- 6299-25-8
- Other Names
-
- 4,6-Dichloro-2-methylmercaptopyrimidine
- 4,6-Dichloro-2-methylthiopyrimidine
- 4,6-dichloropyrimidine methyl sulphide
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.3747 | Relay (1.0) Calculated Property | |
| ΔfG° | 200.91 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 56.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 64.86 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.01 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.10 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.505 | Crippen Calculated Property | |
| McVol | 118.340 | ml/mol | McGowan Calculated Property |
| Pc | 4452.24 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 509.50 | K | Relay (1.0) Calculated Property |
| Tc | 753.45 | K | Relay (1.0) Calculated Property |
| Tfus | 363.84 | K | Relay (1.0) Calculated Property |
| Vc | 0.420 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 408.70 | K | 1.90 | NIST |
Similar Compounds
Find more compounds similar to Pyrimidine, 4,6-dichloro-2-(methylthio)-.
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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