Basic information
- CAS
4291-07-0- Standard SMILES
c1ccc(-c2nnc(-c3ccncc3)s2)cc1- InChIKey
RKUOWPNMWKCGSW-UHFFFAOYSA-N- Molecular formula
- C13H9N3S
- Average molar mass
- 239.3 g/mol
- Monoisotopic mass
- 239.05171847
Names & identifiers
- Preferred name
- 4-(5-Phenyl-1,3,4-thiadiazol-2-yl)pyridine
- IUPAC
- 2-phenyl-5-pyridin-4-yl-1,3,4-thiadiazole
- English name
- 4-(5-Phenyl-1,3,4-thiadiazol-2-yl)pyridine
- Molecular formula
- C13H9N3S
- Molecular weight
- 239.3
Names & synonyms
4-(5-Phenyl-1,3,4-thiadiazol-2-yl)pyridineBRN 0612847Pyridine, 4-(5-phenyl-1,3,4-thiadiazol-2-yl)-DTXSID90962789RefChem:288358DTXCID701390580RKUOWPNMWKCGSW-UHFFFAOYSA-N4291-07-02-(4-Pyridyl)-5-phenyl-1,3,4-thiadiazole2-phenyl-5-pyridin-4-yl-1,3,4-thiadiazole1,3,4-Thiadiazole, 2-(4-pyridyl)-5-phenyl-
Database identifiers
- CAS
4291-07-0- PubChem CID
- 77971
- DTXSID
DTXSID90962789- Nikkaji
- J51.336I
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 237
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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