3-(Difluoromethyl)-6-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine - CAS 1005651-53-5
Catalog: |
BB049387 |
Product Name: |
3-(Difluoromethyl)-6-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine |
CAS: |
1005651-53-5 |
Synonyms: |
3-(difluoromethyl)-6-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine |
IUPAC Name: | 3-(difluoromethyl)-6-(1-ethyl-3-methylpyrazol-4-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine |
Description: | 3-(Difluoromethyl)-6-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CAS# 1005651-53-5 ) is a useful research chemical. |
Molecular Weight: | 298.32 |
Molecular Formula: | C11H12F2N6S |
Canonical SMILES: | CCN1C=C(C(=N1)C)C2=NN3C(=NN=C3SC2)C(F)F |
InChI: | InChI=1S/C11H12F2N6S/c1-3-18-4-7(6(2)16-18)8-5-20-11-15-14-10(9(12)13)19(11)17-8/h4,9H,3,5H2,1-2H3 |
InChI Key: | FCDWPFZUENCTDG-UHFFFAOYSA-N |
Boiling Point: | 474.6±55.0 °C at 760 mmHg |
Density: | 1.6±0.1 g/cm3 |
Complexity: | 395 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 298.08122191 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 298.08122191 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 86.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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