Basic information
- CAS
39577-49-6- Standard SMILES
CCS(=O)(=O)c1nnc(-c2ccncc2)s1- InChIKey
YUCXNTKEDQOOMN-UHFFFAOYSA-N- Molecular formula
- C9H9N3O2S2
- Average molar mass
- 255.3 g/mol
- Monoisotopic mass
- 255.01361889
Names & identifiers
- Preferred name
- 4-[5-(Ethanesulfonyl)-1,3,4-thiadiazol-2-yl]pyridine
- IUPAC
- 2-ethylsulfonyl-5-pyridin-4-yl-1,3,4-thiadiazole
Names & synonyms
DTXSID7012218824-[5-(Ethanesulfonyl)-1,3,4-thiadiazol-2-yl]pyridine4-[5-(Ethylsulfonyl)-1,3,4-thiadiazol-2-yl]pyridine39577-49-6
Database identifiers
- CAS
39577-49-6- PubChem CID
- 163961300
- DTXSID
DTXSID701221882
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 322
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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