- InChI
- InChI=1S/C18H20N2S/c1-3-9-17-15(7-1)20(14-13-19-11-5-6-12-19)16-8-2-4-10-18(16)21-17/h1-4,7-10H,5-6,11-14H2
- InChI Key
- KJKJUXGEMYCCJN-UHFFFAOYSA-N
- Formula
- C18H20N2S
- SMILES
-
c1ccc2c(c1)Sc1ccccc1N2CCN1CCCC
1 - Molecular Weight1
- 296.43
- CAS
- 84-08-2
- Other Names
-
- 10H-Phenothiazine, 10-[2-(1-pyrrolidinyl)ethyl]-
- Phenothiazine, 10-[2-(1-pyrrolidinyl)ethyl]-
- N-(«beta»-Pyrrolidinoethyl)phenothiazine
- Parathiazine (pharmaceutical)
- Parathiazine (DCI)
- Pyrrolidine, 1-(2-phenothiazin-10-ylethyl)-
- Pyrrolidine, 1-[2-(10H-phenothiazin-10-yl)ethyl]-
- 10-[2-(1-Pyrrolidinyl)ethyl]phenothiazine
- Parathiazine
- Pyrrolidino-aethyl-phenthiazin
- 10-(2-(1-Pyrrolidyl)ethyl)phenothiazine
- 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 | 0.6157 | Relay (1.0) Calculated Property | |
| ΔfG° | 396.45 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 249.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 109.14 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.385 | Crippen Calculated Property | |
| McVol | 231.550 | ml/mol | McGowan Calculated Property |
| Pc | 2057.57 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2536.00 | NIST | |
| Tboil | 706.55 | K | Relay (1.0) Calculated Property |
| Tc | 963.90 | K | Relay (1.0) Calculated Property |
| Tfus | 382.27 | K | Relay (1.0) Calculated Property |
| Vc | 0.842 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Pyrathiazine.
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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