3-(Difluoromethyl)-6-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine - CAS 832737-17-4
Catalog: |
BB045865 |
Product Name: |
3-(Difluoromethyl)-6-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine |
CAS: |
832737-17-4 |
Synonyms: |
3-Difluoromethyl-6-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine |
IUPAC Name: | 3-(difluoromethyl)-6-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine |
Description: | 3-(Difluoromethyl)-6-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CAS# 832737-17-4 ) is a useful research chemical. |
Molecular Weight: | 204.2 |
Molecular Formula: | C6H6F2N4S |
Canonical SMILES: | CC1=NN2C(=NN=C2SC1)C(F)F |
InChI: | InChI=1S/C6H6F2N4S/c1-3-2-13-6-10-9-5(4(7)8)12(6)11-3/h4H,2H2,1H3 |
InChI Key: | LYIVLHOHXKGTBS-UHFFFAOYSA-N |
Boiling Point: | 340.5±52.0 ℃ at 760 mmHg |
Density: | 1.8±0.1 g/cm3 |
Complexity: | 235 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.02812371 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.02812371 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 68.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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