Basic information
- CAS
825606-19-7- Standard SMILES
Clc1cccc(-c2nnc3sc(C=Cc4ccccc4)nn23)c1- InChIKey
KVJHXCYCADKZIP-UHFFFAOYSA-N- Molecular formula
- C17H11ClN4S
- Average molar mass
- 338.8 g/mol
- Monoisotopic mass
- 338.0392952
Names & identifiers
- Preferred name
- 3-(3-Chlorophenyl)-6-(2-phenylethenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
- IUPAC
- 3-(3-chlorophenyl)-6-(2-phenylethenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
- English name
- 3-(3-chlorophenyl)-6-(2-phenylvinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
- Molecular formula
- C17H11ClN4S
- Molecular weight
- 338.81
Names & synonyms
3-(3-chlorophenyl)-6-(2-phenylethenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole3-(3-chlorophenyl)-6-(2-phenylvinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole1,2,4-Triazolo[3,4-b][1,3,4]thiadiazole, 3-(3-chlorophenyl)-6-(2-phenylethenyl)-
Database identifiers
- CAS
825606-19-7- PubChem CID
- 4908598
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 71.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 429
Physicochemical properties
- Density
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- pka
- -1.08 · -1.08±0.50(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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