2-Cyclobutylbenzothiazole - CAS 1279123-46-4
Catalog: |
BB006837 |
Product Name: |
2-Cyclobutylbenzothiazole |
CAS: |
1279123-46-4 |
Synonyms: |
2-cyclobutyl-1,3-benzothiazole; 2-cyclobutyl-1,3-benzothiazole |
IUPAC Name: | 2-cyclobutyl-1,3-benzothiazole |
Description: | 2-Cyclobutylbenzothiazole (CAS# 1279123-46-4) is a useful research chemical compound. |
Molecular Weight: | 189.28 |
Molecular Formula: | C11H11NS |
Canonical SMILES: | C1CC(C1)C2=NC3=CC=CC=C3S2 |
InChI: | InChI=1S/C11H11NS/c1-2-7-10-9(6-1)12-11(13-10)8-4-3-5-8/h1-2,6-8H,3-5H2 |
InChI Key: | SDVSGZYYDRMSJJ-UHFFFAOYSA-N |
LogP: | 3.56380 |
Publication Number | Title | Priority Date |
WO-2009036428-A2 | 1,3,4-trisubstituted benzenes | 20070914 |
CN-101312966-A | Benzothiazole cyclobutyl amine derivatives and their use as histamine-3 receptors ligands | 20050922 |
EP-1926729-A1 | Benzothiazole cyclobutyl amine derivatives and their use as histamine-3 receptors ligands | 20050922 |
EP-1926729-B1 | Benzothiazole cyclobutyl amine derivatives and their use as histamine-3 receptors ligands | 20050922 |
EP-2386556-A1 | Benzothiazole cyclobutyl amine derivatives and their use as histamine-3 receptors ligands | 20050922 |
Complexity: | 191 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.06122053 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.06122053 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 41.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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