- InChI
- InChI=1S/C7H11N7S/c1-4(2)9-5-10-6(13-14-8)12-7(11-5)15-3/h4H,1-3H3,(H,9,10,11,12)
- InChI Key
- AFIIBUOYKYSPKB-UHFFFAOYSA-N
- Formula
- C7H11N7S
- SMILES
-
CSc1nc(N=[N+]=[N-])nc(NC(C)C)n
1 - Molecular Weight1
- 225.27
- CAS
- 4658-28-0
- Other Names
-
- 1,3,5-Triazin-2-amine, 4-azido-N-(1-methylethyl)-6-(methylthio)-
- s-Triazine, 2-azido-4-(isopropylamino)-6-(methylthio)-
- Azeprotyrne
- 2-Azido-4-isopropylamino-6-methylthio-s-triazine
- 2-Azido-4-isopropylamino-6-methylthio-1,3,5-triazine
- 4-Azido-N-(1-methylethyl)-6-(methylthio)-1,3,5-triazin-2-amine
- Aziprotryn
- Azirpotryne
- Brasoran
- Brassoron
- C 7019
- CIBA C 7019
- Isopropylamino-4-azido-6-methylthio-1,3,5-triazin
- Mesoranil
- Mezaronil
- Mezuron
- 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.
- 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 | 0.5632 | Relay (... Calculated Property | |
| ΔfG° | 538.30 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 364.31 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 86.98 | kJ/mol | Relay (... Calculated Property |
| IE | 8.34 | eV | Relay (... Calculated Property |
| log10WS | -3.46 | Relay (... Calculated Property | |
| logPoct/wat | 2.356 | Crippen Calculated Property | |
| McVol | 163.340 | ml/mol | McGowan Calculated Property |
| Pc | 3053.62 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1766.00; 1796.00] |
|
|
| Inp | 1766.00 | NIST | |
| Inp | 1779.00 | NIST | |
| Inp | 1796.00 | NIST | |
| Inp | 1766.00 | NIST | |
| Tboil | 504.16 | K | Relay (... Calculated Property |
| Tc | 788.31 | K | Relay (... Calculated Property |
| Tfus | 365.53 | K | Relay (... Calculated Property |
| Vc | 0.565 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Aziprotryne.
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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