- InChI
- InChI=1S/C6H8ClNS/c1-5-6(2-3-7)9-4-8-5/h4H,2-3H2,1H3
- InChI Key
- PCLITLDOTJTVDJ-UHFFFAOYSA-N
- Formula
- C6H8ClNS
- SMILES
- Cc1ncsc1CCCl
- Molecular Weight1
- 161.65
- CAS
- 533-45-9
- Other Names
-
- Thiazole, 5-(2-chloroethyl)-4-methyl-
- Chlorethiazol
- Chlorethiazole
- Chlormethiazol
- Chlormethiazole
- 5-(2-Chloroethyl)-4-methylthiazole
- Clomethiazolum
- Distraneurin
- Emineurina
- 4-Methyl-5-(«beta»-chloroethyl)thiazole
- Somnevrin
- WY 1485
- Chloro-S.C.T.Z.
- 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 | 0.3773 | Relay (1.0) Calculated Property | |
| ΔfG° | 135.43 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 4.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 58.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.20 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.48 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.233 | Crippen Calculated Property | |
| McVol | 114.510 | ml/mol | McGowan Calculated Property |
| Pc | 4182.72 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1221.00; 1245.00] |
|
|
| Inp | 1221.00 | NIST | |
| Inp | 1221.00 | NIST | |
| Inp | 1228.00 | NIST | |
| Inp | 1235.00 | NIST | |
| Inp | 1230.00 | NIST | |
| Inp | 1245.00 | NIST | |
| Inp | 1240.00 | NIST | |
| Inp | 1230.00 | NIST | |
| Inp | 1230.00 | NIST | |
| Tboil | 493.27 | K | Relay (1.0) Calculated Property |
| Tc | 727.57 | K | Relay (1.0) Calculated Property |
| Tfus | 265.24 | K | Relay (1.0) Calculated Property |
| Vc | 0.389 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Clomethiazole.
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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