- InChI
- InChI=1S/C8H8N2OS/c1-11-5-3-2-4-6-7(5)10-8(9)12-6/h2-4H,1H3,(H2,9,10)
- InChI Key
- YEBCRAVYUWNFQT-UHFFFAOYSA-N
- Formula
- C8H8N2OS
- SMILES
- COc1cccc2sc(N)nc12
- Molecular Weight1
- 180.23
- CAS
- 5464-79-9
- Other Names
-
- Benzothiazole, 2-amino-4-methoxy-
- 2-Amino-4-methoxybenzothiazole
- 4-Methoxy-2-aminobenzothiazole
- 2-Amino-methoxybenzothiazole
- 4-Methoxy-1,3-benzothiazol-2-amine
- 4-methoxybenzothiazol-2-ylamine
- 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 | 0.5573 | Relay (1.0) Calculated Property | |
| ΔfG° | 197.85 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 44.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 93.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.85 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.887 | Crippen Calculated Property | |
| McVol | 126.840 | ml/mol | McGowan Calculated Property |
| Pc | 4145.94 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1892.00; 1892.00] |
|
|
| Inp | 1892.00 | NIST | |
| Inp | 1892.00 | NIST | |
| Tboil | 583.47 | K | Relay (1.0) Calculated Property |
| Tc | 850.15 | K | Relay (1.0) Calculated Property |
| Tfus | 403.30 | K | Relay (1.0) Calculated Property |
| Vc | 0.457 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-Benzothiazolamine, 4-methoxy-.
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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