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| IUPAC Name: | 5-nitro-3H-1,3-benzoxazole-2-thione |
| Description: | 5-Nitro-1,3-benzoxazole-2-thiol (CAS# 22876-21-7) is used in preparation of benzazole-substituted benzo-fused oxaheterocycle carboxamides as NOX4 inhibitors for treatment of diseases involving impaired reactive oxygen species generation such as fibrosis. |
| Molecular Weight: | 196.18 |
| Molecular Formula: | C7H4N2O3S |
| Canonical SMILES: | C1=CC2=C(C=C1[N+](=O)[O-])NC(=S)O2 |
| InChI: | InChI=1S/C7H4N2O3S/c10-9(11)4-1-2-6-5(3-4)8-7(13)12-6/h1-3H,(H,8,13) |
| InChI Key: | FQOGSTGLRLMQOV-UHFFFAOYSA-N |
| Boiling Point: | 326.7 °C at 760 mmHg |
| Density: | 1.65 g/cm3 |
| LogP: | 2.54790 |
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