- InChI
- InChI=1S/C19H23N3O3S2/c1-13(20-14(2)23)12-22-16-7-5-6-8-18(16)26-19-10-9-15(11-17(19)22)27(24,25)21(3)4/h5-11,13H,12H2,1-4H3,(H,20,23)
- InChI Key
- SBEQDNNGJKDGFQ-UHFFFAOYSA-N
- Formula
- C19H23N3O3S2
- SMILES
-
CC(=O)NC(C)CN1c2ccccc2Sc2ccc(S
(=O)(=O)N(C)C)cc21 - Molecular Weight1
- 405.53
- 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 | 0.8230 | Relay (1.0) Calculated Property | |
| ΔfG° | 112.83 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -320.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 135.46 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.064 | Crippen Calculated Property | |
| McVol | 296.140 | ml/mol | McGowan Calculated Property |
| Pc | 1648.91 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 3380.00 | NIST | |
| Tboil | 761.18 | K | Relay (1.0) Calculated Property |
| Tc | 1072.78 | K | Relay (1.0) Calculated Property |
| Tfus | 424.19 | K | Relay (1.0) Calculated Property |
| Vc | 1.041 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Dimetotiazine M (bis-nor-), acetylated.
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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