- InChI
- InChI=1S/C16H19N3S/c1-12(18(2)3)11-19-13-7-4-5-8-14(13)20-15-9-6-10-17-16(15)19/h4-10,12H,11H2,1-3H3
- InChI Key
- OQJBSDFFQWMKBQ-UHFFFAOYSA-N
- Formula
- C16H19N3S
- SMILES
- CC(CN1c2ccccc2Sc2cccnc21)N(C)C
- Molecular Weight1
- 285.41
- CAS
- 482-15-5
- Other Names
-
- 10H-Pyrido[3,2-b][1,4]benzothiazine-10-ethanamine, N,N,«alpha»-trimethyl-
- 10H-Pyrido[3,2-b][1,4]benzothiazine, 10-[2-(dimethylamino)propyl]-
- Andantol
- Andanton
- AY 56012
- D 201
- Dimethylaminoisopropylazaphenothiazine
- Nilergex
- Odantol
- Udantol
- 10-(2-Dimethylaminopropyl)-1-azaphenothiazine
- 10-(2-Dimethylaminopropyl)-10H-pyrido[3,2-b][1,4]benzothiazine
- 10-(2-Dimethylaminopropyl)-9-thia-1,10-diazaanthracene
- 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 | 0.5587 | Relay (1.0) Calculated Property | |
| ΔfG° | 416.20 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 261.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 100.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.70 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.634 | Crippen Calculated Property | |
| McVol | 224.210 | ml/mol | McGowan Calculated Property |
| Pc | 2426.93 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2245.00; 2268.00] |
|
|
| Inp | 2250.00 | NIST | |
| Inp | 2245.00 | NIST | |
| Inp | 2268.00 | NIST | |
| Inp | 2267.00 | NIST | |
| Inp | 2267.00 | NIST | |
| Tboil | 679.54 | K | Relay (1.0) Calculated Property |
| Tc | 941.60 | K | Relay (1.0) Calculated Property |
| Tfus | 372.18 | K | Relay (1.0) Calculated Property |
| Vc | 0.800 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Isothipendyl.
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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