4,6-dimethyl-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]pyridine-3-carbonitrile
Basic information
- CAS
5814-33-5- Standard SMILES
Cc1cc(C)c(C#N)c(Sc2nnnn2-c2ccccc2)n1- InChIKey
RSKBCKOKIWYWIR-UHFFFAOYSA-N- Molecular formula
- C15H12N6S
- Average molar mass
- 308.4 g/mol
- Monoisotopic mass
- 308.08441558
Names & identifiers
- Preferred name
- 4,6-dimethyl-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]pyridine-3-carbonitrile
- IUPAC
- 4,6-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylpyridine-3-carbonitrile
Names & synonyms
4,6-dimethyl-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]pyridine-3-carbonitrile5814-33-54,6-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylpyridine-3-carbonitrileMLS000522320CHEMBL1399902DTXSID30973713HMS2248B09HTS29082STK772934AKOS001749060SMR000127588SR-01000147543
Show more names
SR-01000147543-1
Database identifiers
- CAS
5814-33-5- PubChem CID
- 714295
- DTXSID
DTXSID30973713- ChEMBL
CHEMBL1399902
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 418
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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