2-Chloro-6-(trifluoromethoxy)benzothiazole - CAS 133840-96-7
Catalog: |
BB007824 |
Product Name: |
2-Chloro-6-(trifluoromethoxy)benzothiazole |
CAS: |
133840-96-7 |
Synonyms: |
2-chloro-6-(trifluoromethoxy)-1,3-benzothiazole; 2-chloro-6-(trifluoromethoxy)-1,3-benzothiazole |
IUPAC Name: | 2-chloro-6-(trifluoromethoxy)-1,3-benzothiazole |
Description: | 2-Chloro-6-(trifluoromethoxy)benzothiazole (CAS# 133840-96-7) is a useful research chemical. |
Molecular Weight: | 253.63 |
Molecular Formula: | C8H3ClF3NOS |
Canonical SMILES: | C1=CC2=C(C=C1OC(F)(F)F)SC(=N2)Cl |
InChI: | InChI=1S/C8H3ClF3NOS/c9-7-13-5-2-1-4(3-6(5)15-7)14-8(10,11)12/h1-3H |
InChI Key: | PPGSYGPSOLZOOU-UHFFFAOYSA-N |
Boiling Point: | 250.786 °C at 760 mmHg |
Density: | 1.599 g/cm3 |
MDL: | MFCD09743918 |
LogP: | 3.84830 |
Publication Number | Title | Priority Date |
WO-2021070957-A1 | Benzene condensed ring compound and medical composition containing same | 20191009 |
WO-2021046194-A1 | Tryptoline-based benzothiazoles and their use as antibiotics and antibiotic resistance-modifying agents | 20190903 |
CN-112310477-A | Overcharge-preventing lithium ion battery electrolyte | 20190802 |
JP-2020059651-A | Pyrazole derivative and medicament containing the same | 20161226 |
EP-2265270-A1 | 2-aminopyridine kinase inhibitors | 20080204 |
Complexity: | 240 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 252.9575971 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 252.9575971 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.9 |
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