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| IUPAC Name: | 2-methyl-1,3-benzothiazol-5-amine |
| Description: | 2-methyl-1,3-benzothiazol-5-amine (CAS# 13382-43-9) is used as a reactant in the molecular engineering of benzothiazolium salts with large quadratic hyperpolarizabilities on auxiliary electron-withdrawing groups enhancing nonlinear optical responses. |
| Molecular Weight: | 164.226 |
| Molecular Formula: | C8H8N2S |
| Canonical SMILES: | CC1=NC2=C(S1)C=CC(=C2)N |
| InChI: | InChI=1S/C8H8N2S/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,9H2,1H3 |
| InChI Key: | GPWQHYMVUZYWIK-UHFFFAOYSA-N |
| Boiling Point: | 325 °C at 760 mmHg |
| Density: | 1.315 g/cm3 |
| MDL: | MFCD00226291 |
| LogP: | 2.76810 |
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