Basic information
- CAS
537017-15-5- Standard SMILES
Brc1ccc(-c2nn3c(-c4ccccc4)nnc3s2)cc1- InChIKey
AGKWAYAKOVGOJQ-UHFFFAOYSA-N- Molecular formula
- C15H9BrN4S
- Average molar mass
- 357.2 g/mol
Names & identifiers
- Preferred name
- 6-(4-Bromophenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
- IUPAC
- 6-(4-bromophenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
- English name
- 6-(4-bromophenyl)-3-phenyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
- Molecular formula
- C15H9BrN4S
- Molecular weight
- 357.23
Names & synonyms
6-(4-bromophenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole537017-15-56-(4-bromophenyl)-3-phenyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazoleMLS003128370IFLab1_005267HMS1426P09STK192053AKOS003648409SMR001836413ST50421759AO-365/42612511SR-01000908416
Show more names
1,2,4-Triazolo[3,4-b][1,3,4]thiadiazole, 6-(4-bromophenyl)-3-phenyl-
SR-01000908416-1F1219-16016-(4-bromophenyl)-3-phenyl-1,2,4-triazolo[3,4-b]1,3,4-thiadiazoline
Database identifiers
- CAS
537017-15-5- Nikkaji
- J3.349.838A
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 71.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 358
Chemistry & industry
Suppliers4 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
SPECS[email protected]
IFLAB-BB[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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