4-Nitrobenzoxazole-2(3H)-thione - CAS 101495-34-5
Catalog: |
BB000522 |
Product Name: |
4-Nitrobenzoxazole-2(3H)-thione |
CAS: |
101495-34-5 |
Synonyms: |
4-nitro-3H-1,3-benzoxazole-2-thione; 4-nitro-3H-1,3-benzoxazole-2-thione |
IUPAC Name: | 4-nitro-3H-1,3-benzoxazole-2-thione |
Description: | 4-Nitrobenzoxazole-2(3H)-thione (CAS# 101495-34-5 ) is a useful research chemical. |
Molecular Weight: | 196.18 |
Molecular Formula: | C7H4N2O3S |
Canonical SMILES: | C1=CC(=C2C(=C1)OC(=S)N2)[N+](=O)[O-] |
InChI: | InChI=1S/C7H4N2O3S/c10-9(11)4-2-1-3-5-6(4)8-7(13)12-5/h1-3H,(H,8,13) |
InChI Key: | ONAAWIBLPPKLTQ-UHFFFAOYSA-N |
LogP: | 2.54790 |
Publication Number | Title | Priority Date |
AU-2007255041-A1 | Benzoxazole and benzothiazole derivatives as 5-hydroxytrytamine-6 ligands | 20060601 |
BR-PI0712444-A2 | compound of formula i; method for treating a central nervous system disorder related to or affected by the 5-ht6 receptor in a patient in need thereof; pharmaceutical composition; process for preparing a compound of formula ia; and use of a compound of formula i | 20060601 |
CA-2659701-A1 | Benzoxazole and benzothiazole derivatives as 5-hydroxytrytamine-6 ligands | 20060601 |
EP-2024348-A2 | Benzoxazole and benzothiazole derivatives as 5-hydroxytrytamine-6 ligands | 20060601 |
JP-2009538909-A | Benzoxazole and benzothiazole derivatives as 5-hydroxytryptamine-6 ligands | 20060601 |
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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