Basic information
- CAS
397266-96-5- Standard SMILES
FC(F)(F)c1nnc2sc(-c3ccc(Br)cc3)nn12- InChIKey
YKEITBIFEPXUKN-UHFFFAOYSA-N- Molecular formula
- C10H4BrF3N4S
- Average molar mass
- 349.13 g/mol
- Monoisotopic mass
- 347.92921
Names & identifiers
- Preferred name
- 6-(4-Bromophenyl)-3-(trifluoromethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
- IUPAC
- 6-(4-bromophenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
- English name
- 6-(4-bromophenyl)-3-(trifluoromethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
- Molecular formula
- C10H4BrF3N4S
- Molecular weight
- 349.13
Names & synonyms
6-(4-bromophenyl)-3-(trifluoromethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazoleAO-365/43264030STL099076AKOS0033832256-(4-bromophenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole1,2,4-Triazolo[3,4-b][1,3,4]thiadiazole, 6-(4-bromophenyl)-3-(trifluoromethyl)-
Database identifiers
- CAS
397266-96-5- PubChem CID
- 11840561
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 71.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 337
Physicochemical properties
- Density
- 2 · 2.00±0.1 g/cm3(Predicted)
- pka
- -3.93 · -3.93±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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