- InChI
- InChI=1S/C16H19N3S/c1-18(2)11-6-12-19-13-7-3-4-8-14(13)20-15-9-5-10-17-16(15)19/h3-5,7-10H,6,11-12H2,1-2H3
- InChI Key
- JTTAUPUMOLRVRA-UHFFFAOYSA-N
- Formula
- C16H19N3S
- SMILES
- CN(C)CCCN1c2ccccc2Sc2cccnc21
- Molecular Weight1
- 285.41
- CAS
- 303-69-5
- Other Names
-
- 10H-Pyrido[3,2-b][1,4]benzothiazine-10-propanamine, N,N-dimethyl-
- 10H-Pyrido[3,2-b][1,4]benzothiazine, 10-[3-(dimethylamino)propyl]-
- Dominal
- Largophren
- LG 206
- MH 05101
- Phrenotropin
- Timoval
- Timovan
- Tolnate
- Tumovan
- D 206
- N,N-Dimethyl-10H-pyrido[3,2-b][1,4]benzothiazine-10-propanamine
- 10-(3-Dimethylaminopropyl)-10H-pyrido(3,2-b)(1,4)benzothiazine
- 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 | 0.6236 | Relay (1.0) Calculated Property | |
| ΔfG° | 415.88 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 247.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 102.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.70 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.636 | Crippen Calculated Property | |
| McVol | 224.210 | ml/mol | McGowan Calculated Property |
| Pc | 2316.44 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2339.00; 2348.00] |
|
|
| Inp | 2343.00 | NIST | |
| Inp | 2348.00 | NIST | |
| Inp | 2339.00 | NIST | |
| Inp | 2339.00 | NIST | |
| Inp | 2339.00 | NIST | |
| Inp | 2343.00 | NIST | |
| Inp | 2348.00 | NIST | |
| Tboil | 687.01 | K | Relay (1.0) Calculated Property |
| Tc | 942.15 | K | Relay (1.0) Calculated Property |
| Tfus | 378.92 | K | Relay (1.0) Calculated Property |
| Vc | 0.813 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Prothipendyl.
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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