3-Methyl-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine - CAS 54025-94-4
Catalog: |
BB045863 |
Product Name: |
3-Methyl-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine |
CAS: |
54025-94-4 |
Synonyms: |
7H-1,2,4-Triazolo[3,4-b][1,3,4]thiadiazine, 3-methyl-6-phenyl- |
IUPAC Name: | 3-methyl-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine |
Description: | 3-Methyl-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CAS# 54025-94-4 ) is a useful research chemical. |
Molecular Weight: | 230.29 |
Molecular Formula: | C11H10N4S |
Canonical SMILES: | CC1=NN=C2N1N=C(CS2)C3=CC=CC=C3 |
InChI: | InChI=1S/C11H10N4S/c1-8-12-13-11-15(8)14-10(7-16-11)9-5-3-2-4-6-9/h2-6H,7H2,1H3 |
InChI Key: | VMPIHHBGVRZILQ-UHFFFAOYSA-N |
Boiling Point: | 439.5±28.0 °C at 760 mmHg |
Density: | 1.4±0.1 g/cm3 |
Complexity: | 288 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 230.06261751 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 230.06261751 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 68.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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