Basic information
- CAS
923554-08-9- Standard SMILES
Cc1cccc(-c2nnc3sc(COc4ccccc4Cl)nn23)c1- InChIKey
GDFMAUXTHXXEQV-UHFFFAOYSA-N- Molecular formula
- C17H13ClN4OS
- Average molar mass
- 356.8 g/mol
Names & identifiers
- Preferred name
- 6-[(2-Chlorophenoxy)methyl]-3-(3-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
- IUPAC
- 6-[(2-chlorophenoxy)methyl]-3-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
- English name
- 6-[(2-chlorophenoxy)methyl]-3-(3-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
- Molecular formula
- C17H13ClN4OS
- Molecular weight
- 356.83
Names & synonyms
6-[(2-chlorophenoxy)methyl]-3-(3-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole6-[(2-chlorophenoxy)methyl]-3-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazoleAO-365/43301332STK289595AKOS0033840131,2,4-Triazolo[3,4-b][1,3,4]thiadiazole, 6-[(2-chlorophenoxy)methyl]-3-(3-methylphenyl)-
Database identifiers
- CAS
923554-08-9
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 80.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 431
Physicochemical properties
- Density
- 1.44 · 1.44±0.1 g/cm3(Predicted)
- pka
- 0 · -0+-.0.50(Predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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