![Urea, 1-methyl-3-[2-[6-(methylthio)-9h-purin-9-yl]ethyl]-](/cid/86-088-0/Urea-1-methyl-3-2-6-methylthio-9h-purin-9-yl-ethyl.png "Urea, 1-methyl-3-[2-[6-(methylthio)-9h-purin-9-yl]ethyl]-")
- InChI
- InChI=1S/C10H14N6OS/c1-11-10(17)12-3-4-16-6-15-7-8(16)13-5-14-9(7)18-2/h5-6H,3-4H2,1-2H3,(H2,11,12,17)
- InChI Key
- HCSUAAPKMNZOIH-UHFFFAOYSA-N
- Formula
- C10H14N6OS
- SMILES
- CN=C(O)NCCn1cnc2c(SC)ncnc21
- Molecular Weight1
- 266.32
- CAS
- 90924-88-2
- 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 | 0.8830 | Relay (1.0) Calculated Property | |
| ΔfG° | 386.20 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 65.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 137.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.62 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.48 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.682 | Crippen Calculated Property | |
| McVol | 190.640 | ml/mol | McGowan Calculated Property |
| Pc | 3917.22 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 669.02 | K | Relay (1.0) Calculated Property |
| Tc | 1016.21 | K | Relay (1.0) Calculated Property |
| Tfus | 456.05 | K | Relay (1.0) Calculated Property |
| Vc | 0.686 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Urea, 1-methyl-3-[2-[6-(methylthio)-9h-purin-9-yl]ethyl]-.
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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