3,6-Dimethyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine - CAS 552881-02-4
Catalog: |
BB045862 |
Product Name: |
3,6-Dimethyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine |
CAS: |
552881-02-4 |
Synonyms: |
3,6-Dimethyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]-thiadiazine; 3,6-dimethyl-7H-1,2,4-triazolo[3,4-b]1,3,4-thiadiazine |
IUPAC Name: | 3,6-dimethyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine |
Description: | 3,6-Dimethyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CAS# 552881-02-4 ) is a useful research chemical. |
Molecular Weight: | 168.22 |
Molecular Formula: | C6H8N4S |
Canonical SMILES: | CC1=NN2C(=NN=C2SC1)C |
InChI: | InChI=1S/C6H8N4S/c1-4-3-11-6-8-7-5(2)10(6)9-4/h3H2,1-2H3 |
InChI Key: | RHPUOPUXYYBHMN-UHFFFAOYSA-N |
Boiling Point: | 356.3±25.0 °C at 760 mmHg |
Density: | 1.5±0.1 g/cm3 |
Appearance: | Cream solid |
Complexity: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.04696745 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.04696745 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 68.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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