- InChI
- InChI=1S/C11H21N5OS/c1-8(2)13-10-14-9(12-6-5-7-17-3)15-11(16-10)18-4/h8H,5-7H2,1-4H3,(H2,12,13,14,15,16)
- InChI Key
- DDUIUBPJPOKOMV-UHFFFAOYSA-N
- Formula
- C11H21N5OS
- SMILES
- COCCCNc1nc(NC(C)C)nc(SC)n1
- Molecular Weight1
- 271.38
- CAS
- 841-06-5
- Other Names
-
- 1,3,5-Triazine-2,4-diamine, N-(3-methoxypropyl)-N'-(1-methylethyl)-6-(methylthio)-
- 2-Isopropylamino-4-(3-methoxypropylamino)-6-methylthio-1,3,5-triazine
- 2-Isopropylamino-4-(3-methoxypropylamino)-6-methylthio-s-triazine
- 2-Methylthio-4-isopropylamino-6-(3-methoxypropylamino)-s-triazine
- 4-Isopropylamino-6-(3'-methoxypropylamino)-2-methythio-1,3,5-triazine
- G 36393
- Gesaran
- Gesaran 25
- Methoproptryne
- Methoproteryne
- Methoprotryn
- Methotryne
- Metoprotryn
- Metoprotryne
- s-Triazine, 2-(isopropylamino)-4-[(3-methoxypropyl)amino]-6-(methylthio)-
- 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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- 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 | 0.7054 | Relay (1.0) Calculated Property | |
| ΔfG° | 328.67 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -132.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 116.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.35 | eV | Relay (1.0) Calculated Property |
| log10WS | [-2.93; -2.93] |
|
|
| log10WS | -2.93 | Aq. Solubility Prediction | |
| log10WS | -2.93 | Estimated Solubility | |
| logPoct/wat | 1.862 | Crippen Calculated Property | |
| McVol | 214.210 | ml/mol | McGowan Calculated Property |
| Pc | 2225.47 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2150.00; 2153.00] |
|
|
| Inp | 2150.00 | NIST | |
| Inp | 2153.00 | NIST | |
| Inp | 2150.00 | NIST | |
| I | [3202.00; 3202.00] |
|
|
| I | 3202.00 | NIST | |
| I | 3202.00 | NIST | |
| I | 3202.00 | NIST | |
| Tboil | 587.75 | K | Relay (1.0) Calculated Property |
| Tc | 861.48 | K | Relay (1.0) Calculated Property |
| Tfus | 344.02 | K | Relay (1.0) Calculated Property |
| Vc | 0.759 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Methoprotryne.
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
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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