- InChI
- InChI=1S/C19H25N3O2S2/c1-14(20(2)3)13-22-16-8-6-7-9-18(16)25-19-11-10-15(12-17(19)22)26(23,24)21(4)5/h6-12,14H,13H2,1-5H3
- InChI Key
- VWNWVCJGUMZDIU-UHFFFAOYSA-N
- Formula
- C19H25N3O2S2
- SMILES
-
CC(CN1c2ccccc2Sc2ccc(S(=O)(=O)
N(C)C)cc21)N(C)C - Molecular Weight1
- 391.55
- CAS
- 7456-24-8
- Other Names
-
- 10H-Phenothiazine-2-sulfonamide, 10-[2-(dimethylamino)propyl]-N,N-dimethyl-
- Phenothiazine-2-sulfonamide, 10-(2-(dimethylamino)propyl)-N,N-dimethyl-
- Banistyl
- Dimethodin
- Dimethothiazine
- 10-(2-(Dimethylamino)propyl)-N,N-dimethylphenothiazine-2-sulfonamide
- Dimethylsulfamido-3-(dimethylamino-2-propyl)-10-phenothiazine
- 3-Dimethylsulfonamido 10-(2-dimethylaminopropyl)phenothiazine
- Dimetiotazine
- Fonazine
- 8599 R.P.
- Dimethiotazine
- RP-8599
- 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 | 0.7522 | Relay (1.0) Calculated Property | |
| ΔfG° | 238.56 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -109.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 122.78 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.17 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.490 | Crippen Calculated Property | |
| McVol | 294.570 | ml/mol | McGowan Calculated Property |
| Pc | 1656.18 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [3047.00; 3078.00] |
|
|
| Inp | 3047.00 | NIST | |
| Inp | 3060.00 | NIST | |
| Inp | 3050.00 | NIST | |
| Inp | 3050.00 | NIST | |
| Inp | 3060.00 | NIST | |
| Inp | 3078.00 | NIST | |
| Inp | 3078.00 | NIST | |
| Inp | 3078.00 | NIST | |
| Inp | 3047.00 | NIST | |
| Tboil | 758.28 | K | Relay (1.0) Calculated Property |
| Tc | 1034.55 | K | Relay (1.0) Calculated Property |
| Tfus | 426.64 | K | Relay (1.0) Calculated Property |
| Vc | 1.049 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Dimetotiazine.
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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