3-[Chloro(difluoro)methyl]-6-(1-ethyl-3-methylpyrazol-4-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine - CAS 1003993-47-2
Catalog: |
BB049385 |
Product Name: |
3-[Chloro(difluoro)methyl]-6-(1-ethyl-3-methylpyrazol-4-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine |
CAS: |
1003993-47-2 |
Synonyms: |
3-(Chlorodifluoromethyl)-6-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine; 3-[chloro(difluoro)methyl]-6-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine |
IUPAC Name: | 3-[chloro(difluoro)methyl]-6-(1-ethyl-3-methylpyrazol-4-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine |
Description: | 3-[Chloro(difluoro)methyl]-6-(1-ethyl-3-methylpyrazol-4-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CAS# 1003993-47-2 ) is a useful research chemical. |
Molecular Weight: | 332.76 |
Molecular Formula: | C11H11ClF2N6S |
Canonical SMILES: | CCN1C=C(C(=N1)C)C2=NN3C(=NN=C3SC2)C(F)(F)Cl |
InChI: | InChI=1S/C11H11ClF2N6S/c1-3-19-4-7(6(2)17-19)8-5-21-10-16-15-9(11(12,13)14)20(10)18-8/h4H,3,5H2,1-2H3 |
InChI Key: | WDGUCAFRRPLFQX-UHFFFAOYSA-N |
Boiling Point: | 459.1±55.0 °C at 760 mmHg |
Density: | 1.7±0.1 g/cm3 |
Complexity: | 439 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 332.0422496 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 332.0422496 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 86.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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