5-Fluoro-2-methylbenzothiazole - CAS 399-75-7
Catalog: |
BB024233 |
Product Name: |
5-Fluoro-2-methylbenzothiazole |
CAS: |
399-75-7 |
Synonyms: |
5-fluoro-2-methyl-1,3-benzothiazole |
IUPAC Name: | 5-fluoro-2-methyl-1,3-benzothiazole |
Description: | 5-Fluoro-2-methylbenzothiazole (CAS# 399-75-7) is a useful reactant in the preparation of antileishmanial drug candidates. |
Molecular Weight: | 167.20 |
Molecular Formula: | C8H6FNS |
Canonical SMILES: | CC1=NC2=C(S1)C=CC(=C2)F |
InChI: | InChI=1S/C8H6FNS/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,1H3 |
InChI Key: | LDBFGRGBYVULTJ-UHFFFAOYSA-N |
Boiling Point: | 254.5 °C at 760 mmHg |
Purity: | > 95.0 % (GC) |
Density: | 1.256 g/cm3 |
MDL: | MFCD00135018 |
LogP: | 2.74380 |
Publication Number | Title | Priority Date |
CN-113045993-A | Polishing solution for processing ultra-smooth low-damage bearing steel surface and application thereof | 20210325 |
CN-111166744-A | Application of 4- (benzothiazole-2-yl) arylamine compound in treating gastric cancer | 20181112 |
WO-2020098516-A1 | Use of 4-(benzothiazole-2-yl)arylamine compound in treating stomach cancer | 20181112 |
US-10655015-B2 | Tire crumb-based bitumen polymer for producing a lower viscosity asphalt with improved tolerance to high temperatures | 20180922 |
US-2020095424-A1 | Tire crumb-based bitumen polymer for producing a lower viscosity asphalt with improved tolerance to high temperatures | 20180922 |
Complexity: | 153 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 167.02049853 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 167.02049853 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 41.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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