- InChI
- InChI=1S/C3H4N2S/c4-3-5-1-2-6-3/h1-2H,(H2,4,5)
- InChI Key
- RAIPHJJURHTUIC-UHFFFAOYSA-N
- Formula
- C3H4N2S
- SMILES
- Nc1nccs1
- Molecular Weight1
- 100.14
- CAS
- 96-50-4
- Other Names
-
- 2-Amino-1,3-thiazole
- 2-Aminothiazole
- 2-Thiazolamine
- 2-Thiazolylamine
- 4-Thiazolin-2-onimine
- Abadol
- Abadole
- Basedol
- NSC 1900
- RP 2921
- Thiazole, 2-amino-
- USAF EK-P-5501
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Tboilr : Boiling point at reduced pressure (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 | 0.3951 | Relay (1.0) Calculated Property | |
| PAff | 930.60 | kJ/mol | NIST |
| BasG | 898.70 | kJ/mol | NIST |
| ΔfG° | 243.56 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 150.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 64.19 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.56 | eV | Relay (1.0) Calculated Property |
| log10WS | [-0.36; -0.36] |
|
|
| log10WS | -0.36 | Aq. Solubility Prediction | |
| log10WS | -0.36 | Estimated Solubility | |
| logPoct/wat | 0.725 | Crippen Calculated Property | |
| McVol | 69.980 | ml/mol | McGowan Calculated Property |
| Pc | 5814.62 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 490.10 | K | Relay (1.0) Calculated Property |
| Tc | 727.44 | K | Relay (1.0) Calculated Property |
| Tfus | [363.00; 364.65] | K |
|
| Tfus | 364.65 | K | Aq. Solubility Prediction |
| Tfus | 363.00 | K | NIST |
| Vc | 0.240 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 85.90 | kJ/mol | 298.15 | Thermodynamic study of 2-aminothiazole and 2-aminobenzothiazole: Experimental and computational approaches |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [413.00; 413.20] | K | [1.50; 1.50] |
|
| Tboilr | 413.20 | K | 1.50 | NIST |
| Tboilr | 413.00 | K | 1.50 | NIST |
Similar Compounds
Find more compounds similar to Aminothiazole.
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
- Thermodynamic study of 2-aminothiazole and 2-aminobenzothiazole: Experimental and computational approaches
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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