- InChI
- InChI=1S/C11H8N2S/c1-2-5-9-8(4-1)13-11-10(14-9)6-3-7-12-11/h1-7H,(H,12,13)
- InChI Key
- UKDZROJJLPDLDO-UHFFFAOYSA-N
- Formula
- C11H8N2S
- SMILES
- c1ccc2c(c1)Nc1ncccc1S2
- Molecular Weight1
- 200.26
- CAS
- 261-96-1
- Other Names
-
- 1H-Pyrido[3,2-b][1,4]benzothiazine
- Isothipendyl M (ring)
- 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 | 0.4493 | Relay (1.0) Calculated Property | |
| ΔfG° | 307.87 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 299.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 94.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.47 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.290 | Crippen Calculated Property | |
| McVol | 143.780 | ml/mol | McGowan Calculated Property |
| Pc | 6018.91 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2045.00; 2049.00] |
|
|
| Inp | 2045.00 | NIST | |
| Inp | 2049.00 | NIST | |
| Inp | 2045.00 | NIST | |
| Inp | 2049.00 | NIST | |
| Tboil | 644.57 | K | Relay (1.0) Calculated Property |
| Tc | 950.53 | K | Relay (1.0) Calculated Property |
| Tfus | 505.03 | K | Relay (1.0) Calculated Property |
| Vc | 0.516 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 10H-Pyrido(3,2-b)(1,4)benzothiazine.
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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