6-(2-Bromophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Basic information
- CAS
895331-10-9- Standard SMILES
Brc1ccccc1-c1nn2cnnc2s1- InChIKey
OGZCBYBHDAQDQW-UHFFFAOYSA-N- Molecular formula
- C9H5BrN4S
- Average molar mass
- 281.13 g/mol
- Monoisotopic mass
- 279.94183
Names & identifiers
- Preferred name
- 6-(2-Bromophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
- IUPAC
- 6-(2-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
- English name
- 1,2,4-TRIAZOLO[3,4-B][1,3,4]THIADIAZOLE, 6-(2-BROMOPHENYL)-
- Molecular formula
- C9H5BrN4S
- Molecular weight
- 281.13
Names & synonyms
6-(2-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole895331-10-96-(2-bromophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazoleSTK289385AKOS0002964636-(2-BROMOPHENYL)-1,2,4-TRIAZOLO[3,4-B][1,3,4]THIADIAZOLE1,2,4-TRIAZOLO[3,4-B][1,3,4]THIADIAZOLE, 6-(2-BROMOPHENYL)-
Database identifiers
- CAS
895331-10-9- PubChem CID
- 2992238
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 71.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 242
Physicochemical properties
- Density
- 1.95 · 1.95±0.1 g/cm3(Predicted)
- pka
- -0.81 · -0.81±0.50(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…