Mls000737262
Basic information
- CAS
2726-92-3- Standard SMILES
c1ccc(-c2nnc(-c3ccccn3)s2)nc1- InChIKey
BGORQFGAWSNEBU-UHFFFAOYSA-N- Molecular formula
- C12H8N4S
- Average molar mass
- 240.29 g/mol
- Monoisotopic mass
- 240.04696745
Names & identifiers
- Preferred name
- Mls000737262
- IUPAC
- 2,5-dipyridin-2-yl-1,3,4-thiadiazole
- English name
- Pyridine,2,2'-(1,3,4-thiadiazole-2,5-diyl)bis-
- Molecular formula
- C12H8N4S
- Molecular weight
- 240.28
Names & synonyms
2726-92-3MLS000737262DTXSID10295945RefChem:357087DTXCID902470832,5-bis(2-pyridyl)-1,3,4-thiadiazole2-[5-(PYRIDIN-2-YL)-1,3,4-THIADIAZOL-2-YL]PYRIDINEPyridine,2,2'-(1,3,4-thiadiazole-2,5-diyl)bis-2,5-dipyridin-2-yl-1,3,4-thiadiazole2,2'-(1,3,4-thiadiazole-2,5-diyl)dipyridineNSC1064612,5-Di(pyridin-2-yl)-1,3,4-thiadiazole
Show more names
SCHEMBL1424929CHEMBL1400881BGORQFGAWSNEBU-UHFFFAOYSA-NHMS2781A142,5-dipyridyl-[1,3,4]thiadiazoleNSC-106461SMR000444347CS-0243662
Database identifiers
- CAS
2726-92-3- PubChem CID
- 267294
- DTXSID
DTXSID10295945- ChEMBL
CHEMBL1400881- Nikkaji
- J1.580.628A
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 227
Physicochemical properties
- Melting point
- 221 · 221-222 °C
- Boiling point
- 458.5 · 458.5±43.0 °C(Predicted)
- Density
- 1.317 · 1.317±0.06 g/cm3(Predicted)
- pka
- -0.94 · -0.94±0.19(Predicted)
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Related reactions
1 records
Compound notes
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