- InChI
- InChI=1S/C4H4N2S2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)
- InChI Key
- ZEQIWKHCJWRNTH-UHFFFAOYSA-N
- Formula
- C4H4N2S2
- SMILES
- Sc1ccnc(S)n1
- Molecular Weight1
- 144.22
- CAS
- 2001-93-6
- Other Names
-
- Uracil, 2,4-dithio-
- Dithiouracil
- 2,4-Dimercaptopyrimidine
- 2,4-Dithiouracil
- 2,4-Dithioxopyrimidine
- 2,4-Pyrimidinedithiol
- Pyrimidine-2,4-dithiol
- 2,4-Dithiopyrimidine
- Dithiopyrimidine
- USAF CB-14
- NSC 42031
- 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 | 0.3843 | Relay (... Calculated Property | |
| ΔfG° | 203.96 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 143.02 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 101.56 | kJ/mol | Relay (... Calculated Property |
| IE | 8.25 | eV | Relay (... Calculated Property |
| log10WS | -2.14 | Relay (... Calculated Property | |
| logPoct/wat | 1.054 | Crippen Calculated Property | |
| McVol | 96.120 | ml/mol | McGowan Calculated Property |
| Pc | 5959.90 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 522.45 | K | Relay (... Calculated Property |
| Tc | 820.58 | K | Relay (... Calculated Property |
| Tfus | 475.96 | K | Relay (... Calculated Property |
| Vc | 0.310 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2,4(1H,3H)-Pyrimidinedithione.
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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