3,3'-[Sulfanediylbis(methylene)]di([1,2,4]triazolo[4,3-a]pyridine)
Basic information
- CAS
64762-56-7- Standard SMILES
c1ccn2c(CSCc3nnc4ccccn34)nnc2c1- InChIKey
YYNSLPRLQXDGBM-UHFFFAOYSA-N- Molecular formula
- C14H12N6S
- Average molar mass
- 296.35 g/mol
- Monoisotopic mass
- 296.08441558
Names & identifiers
- Preferred name
- 3,3'-[Sulfanediylbis(methylene)]di([1,2,4]triazolo[4,3-a]pyridine)
- IUPAC
- 3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylsulfanylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
Names & synonyms
64762-56-7NSC303531DTXSID003164313,3'-[Sulfanediylbis(methylene)]di([1,2,4]triazolo[4,3-a]pyridine)NSC-303531
Database identifiers
- CAS
64762-56-7- PubChem CID
- 327607
- DTXSID
DTXSID00316431
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 85.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 324
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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