- InChI
- InChI=1S/C20H25N3O3S2/c1-14(22(5)15(2)24)13-23-17-8-6-7-9-19(17)27-20-11-10-16(12-18(20)23)28(25,26)21(3)4/h6-12,14H,13H2,1-5H3
- InChI Key
- RKSUYMQRUONBBE-UHFFFAOYSA-N
- Formula
- C20H25N3O3S2
- SMILES
-
CC(=O)N(C)C(C)CN1c2ccccc2Sc2cc
c(S(=O)(=O)N(C)C)cc21 - Molecular Weight1
- 419.56
- 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 | 0.8151 | Relay (1.0) Calculated Property | |
| ΔfG° | 163.60 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -299.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 135.65 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.15 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.406 | Crippen Calculated Property | |
| McVol | 310.230 | ml/mol | McGowan Calculated Property |
| Pc | 1578.61 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [3360.00; 3360.00] |
|
|
| Inp | 3360.00 | NIST | |
| Inp | 3360.00 | NIST | |
| Tboil | 764.50 | K | Relay (1.0) Calculated Property |
| Tc | 1060.61 | K | Relay (1.0) Calculated Property |
| Tfus | 422.20 | K | Relay (1.0) Calculated Property |
| Vc | 1.101 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Dimetotiazine M (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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