3-Chloro-4-(1-ethylpyridin-1-ium-3-yl)-1,2,5-thiadiazole

HCID 19075331
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Basic information

Standard SMILES
CC[n+]1cccc(-c2nsnc2Cl)c1
InChIKey
TXICWCNLOLTBFL-UHFFFAOYSA-N
Molecular formula
C9H9ClN3S+
Average molar mass
226.71 g/mol
Monoisotopic mass
226.0205712

Names & identifiers

Preferred name
3-Chloro-4-(1-ethylpyridin-1-ium-3-yl)-1,2,5-thiadiazole
IUPAC
3-chloro-4-(1-ethylpyridin-1-ium-3-yl)-1,2,5-thiadiazole

Names & synonyms

SCHEMBL9091930

Database identifiers

PubChem CID
19075331

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
57.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
14

Related reactions

1 records
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Compound notes

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