- InChI
- InChI=1S/C7H5BrN2S/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H2,9,10)
- InChI Key
- VZEBSJIOUMDNLY-UHFFFAOYSA-N
- Formula
- C7H5BrN2S
- SMILES
- Nc1nc2ccc(Br)cc2s1
- Molecular Weight1
- 229.10
- CAS
- 15864-32-1
- Other Names
-
- Benzothiazole, 2-amino-6-bromo-
- 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 | 0.5019 | Relay (1.0) Calculated Property | |
| ΔfG° | 261.31 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 185.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 95.20 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.08 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.641 | Crippen Calculated Property | |
| McVol | 124.380 | ml/mol | McGowan Calculated Property |
| Pc | 4873.28 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 586.10 | K | Relay (1.0) Calculated Property |
| Tc | 889.54 | K | Relay (1.0) Calculated Property |
| Tfus | 447.04 | K | Relay (1.0) Calculated Property |
| Vc | 0.440 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
![Disulfide, bis[n(benzothiazol-2-yl)-2-aminoethyl].](data:image/png;base64,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)
Find more compounds similar to 2-Amino-6-bromobenzothiazole.
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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