4-[5-(Methylsulfanyl)-1,3,4-thiadiazol-2-yl]pyridine
Basic information
- CAS
89806-20-2- Standard SMILES
CSc1nnc(-c2ccncc2)s1- InChIKey
JWYZEKAEHIXWIV-UHFFFAOYSA-N- Molecular formula
- C8H7N3S2
- Average molar mass
- 209.3 g/mol
- Monoisotopic mass
- 209.00813958
Names & identifiers
- Preferred name
- 4-[5-(Methylsulfanyl)-1,3,4-thiadiazol-2-yl]pyridine
- IUPAC
- 2-methylsulfanyl-5-pyridin-4-yl-1,3,4-thiadiazole
Names & synonyms
89806-20-22-(Methylthio)-5-(pyridin-4-yl)-1,3,4-thiadiazole4-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]pyridineNSC150832DTXSID30302403NSC-150832
Database identifiers
- CAS
89806-20-2- PubChem CID
- 289170
- DTXSID
DTXSID30302403- Nikkaji
- J3.328.270B
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 92.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 161
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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