- 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)-
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -132.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 118.40 | kJ/mol | 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 |
| 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 | |
| Tfus | 335.09 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
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
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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