Basic information
- Standard SMILES
Cl.O=S1(=O)N=C(c2ccccc2)C(c2cccnc2)=N1- InChIKey
AITVVLKFAQOROI-UHFFFAOYSA-N- Molecular formula
- C13H10ClN3O2S
- Average molar mass
- 307.76 g/mol
- Monoisotopic mass
- 307.0182254
Names & identifiers
- Preferred name
- 3-(Pyridin-3-yl)-4-phenyl-1,2,5-thiadiazole-1,1-dioxide Hydrochloride
- IUPAC
- 3-phenyl-4-pyridin-3-yl-1,2,5-thiadiazole 1,1-dioxide;hydrochloride
Names & synonyms
SCHEMBL3256519AITVVLKFAQOROI-UHFFFAOYSA-N3-(Pyridin-3-yl)-4-phenyl-1,2,5-thiadiazole-1,1-dioxide Hydrochloride
Database identifiers
- PubChem CID
- 68569778
Properties
Computed structural properties
- Topological polar surface area
- 80.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 498
Related reactions
2 records
Compound notes
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