![Formamide, n-[4-amino-6-(benzylthio)-5-pyrimidinyl]-n-benzyl-](/cid/65-479-9/Formamide-n-4-amino-6-benzylthio-5-pyrimidinyl-n-benzyl.png "Formamide, n-[4-amino-6-(benzylthio)-5-pyrimidinyl]-n-benzyl-")
- InChI
- InChI=1S/C19H18N4OS/c20-18-17(23(14-24)11-15-7-3-1-4-8-15)19(22-13-21-18)25-12-16-9-5-2-6-10-16/h1-10,13-14H,11-12H2,(H2,20,21,22)
- InChI Key
- HAQQWLXTUCRJGB-UHFFFAOYSA-N
- Formula
- C19H18N4OS
- SMILES
-
Nc1ncnc(SCc2ccccc2)c1N(C=O)Cc1
ccccc1 - Molecular Weight1
- 350.44
- CAS
- 7461-79-2
- Other Names
-
- Formamide, n-[4-amino-6-(benzylthio)pyrimidin-5-yl)]-n-benzyl-
- 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 | 0.7733 | Relay (... Calculated Property | |
| ΔfG° | 498.69 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 292.37 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 133.41 | kJ/mol | Relay (... Calculated Property |
| IE | 7.97 | eV | Relay (... Calculated Property |
| log10WS | -4.58 | Relay (... Calculated Property | |
| logPoct/wat | 3.514 | Crippen Calculated Property | |
| McVol | 265.130 | ml/mol | McGowan Calculated Property |
| Pc | 2542.54 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 720.91 | K | Relay (... Calculated Property |
| Tc | 1105.13 | K | Relay (... Calculated Property |
| Tfus | 396.92 | K | Relay (... Calculated Property |
| Vc | 0.921 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Formamide, n-[4-amino-6-(benzylthio)-5-pyrimidinyl]-n-benzyl-.
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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