- InChI
- InChI=1S/C10H7N3O3S/c14-9(7-4-2-1-3-5-7)12-10-11-6-8(17-10)13(15)16/h1-6H,(H,11,12,14)
- InChI Key
- TYUHMMUUMWZPDB-UHFFFAOYSA-N
- Formula
- C10H7N3O3S
- SMILES
-
O=C(Nc1ncc([N+](=O)[O-])s1)c1c
cccc1 - Molecular Weight1
- 249.25
- CAS
- 64398-84-1
- Other Names
-
- N-(5-nitro-2-thiazolyl)benzamide
- 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).
- 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 | 0.6645 | Relay (1.0) Calculated Property | |
| ΔfG° | 279.21 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 73.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 105.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.97 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.24 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.304 | Crippen Calculated Property | |
| McVol | 163.840 | ml/mol | McGowan Calculated Property |
| Pc | 4574.06 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 606.96 | K | Relay (1.0) Calculated Property |
| Tc | 971.50 | K | Relay (1.0) Calculated Property |
| Tfus | 492.03 | K | Relay (1.0) Calculated Property |
| Vc | 0.579 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-Benzamido-5-nitrothiazole.
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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