6-Nitrobenzoxazole-2(3H)-thione - CAS 14541-93-6
Catalog: |
BB009936 |
Product Name: |
6-Nitrobenzoxazole-2(3H)-thione |
CAS: |
14541-93-6 |
Synonyms: |
6-nitro-3H-1,3-benzoxazole-2-thione; 6-nitro-3H-1,3-benzoxazole-2-thione |
IUPAC Name: | 6-nitro-3H-1,3-benzoxazole-2-thione |
Description: | 6-Nitrobenzoxazole-2(3H)-thione (CAS# 14541-93-6) is a useful research chemical. |
Molecular Weight: | 196.18 |
Molecular Formula: | C7H4N2O3S |
Canonical SMILES: | C1=CC2=C(C=C1[N+](=O)[O-])OC(=S)N2 |
InChI: | InChI=1S/C7H4N2O3S/c10-9(11)4-1-2-5-6(3-4)12-7(13)8-5/h1-3H,(H,8,13) |
InChI Key: | GCVNWXZRBBCASB-UHFFFAOYSA-N |
Boiling Point: | 337.4 °C at 760 mmHg |
Density: | 1.65 g/cm3 |
LogP: | 2.54790 |
Publication Number | Title | Priority Date |
US-2019194179-A1 | Antibiotic compounds | 20160822 |
CN-103102314-A | Benzothiazole, benzimidazole, benzoxazole derivatives and preparation method and application thereof | 20120112 |
CN-103102314-B | Benzothiazole, benzoglyoxaline, benzoxazole derivative and its production and use | 20120112 |
WO-2013042137-A1 | Bicyclic heterocycles as irak4 inhibitors | 20110919 |
US-2007087295-A1 | Radiographic materials with antifoggant precursors | 20051003 |
Complexity: | 253 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 195.99426317 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 195.99426317 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 99.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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Related Functional Groups
Benzoxazole/Benzothiazole
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