- InChI
- InChI=1S/C9H18NO3PS2/c1-4-8(3)16-14(12,13-5-2)10-6-7-15-9(10)11/h8H,4-7H2,1-3H3
- InChI Key
- DUFVKSUJRWYZQP-UHFFFAOYSA-N
- Formula
- C9H18NO3PS2
- SMILES
- CCOP(=O)(SC(C)CC)N1CCSC1=O
- Molecular Weight1
- 283.35
- Other Names
-
- Fostiazate, isomer 1
- FOSTHIAZATE-2
- Phosphonothioic acid, P-(2-oxo-3-thiazolidinyl)-, O-ethyl S-(1-methylpropyl) ester
- fosthiazate
- O-ethyl S-(1-methylpropyl) (2-oxo-3-thiazolidinyl)phosphonothioate
- Fostiazate, isomer 2
- 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 | 0.5124 | Relay (1.0) Calculated Property | |
| ΔfG° | -220.35 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -615.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 79.95 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.48 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.832 | Crippen Calculated Property | |
| McVol | 203.260 | ml/mol | McGowan Calculated Property |
| Pc | 1971.88 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2027.00; 2032.00] |
|
|
| Inp | 2027.00 | NIST | |
| Inp | 2032.00 | NIST | |
| Inp | 2032.00 | NIST | |
| Inp | 2027.00 | NIST | |
| Tboil | 613.47 | K | Relay (1.0) Calculated Property |
| Tc | 812.74 | K | Relay (1.0) Calculated Property |
| Tfus | 284.68 | K | Relay (1.0) Calculated Property |
| Vc | 0.717 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to fosthiazate-1.
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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