6-(2,4-Difluorophenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine - CAS 832737-52-7
Catalog: |
BB045861 |
Product Name: |
6-(2,4-Difluorophenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine |
CAS: |
832737-52-7 |
Synonyms: |
6-(2,4-Difluoro-phenyl)-3-methyl-7H-[1,2,4]-triazolo[3,4-b][1,3,4]thiadiazine; 6-(2,4-difluorophenyl)-3-methyl-7H-1,2,4-triazolo[3,4-b]1,3,4-thiadiazine |
IUPAC Name: | 6-(2,4-difluorophenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine |
Description: | 6-(2,4-Difluorophenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CAS# 832737-52-7 ) is a useful research chemical. |
Molecular Weight: | 266.27 |
Molecular Formula: | C11H8F2N4S |
Canonical SMILES: | CC1=NN=C2N1N=C(CS2)C3=C(C=C(C=C3)F)F |
InChI: | InChI=1S/C11H8F2N4S/c1-6-14-15-11-17(6)16-10(5-18-11)8-3-2-7(12)4-9(8)13/h2-4H,5H2,1H3 |
InChI Key: | OWSQWLCXCKHHCS-UHFFFAOYSA-N |
Boiling Point: | 427.0±55.0 °C at 760 mmHg |
Density: | 1.6±0.1 g/cm3 |
Solubility: | 28.7 [ug/mL] (The mean of the results at pH 7.4) |
Complexity: | 354 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 266.04377377 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 266.04377377 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 68.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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