Thiazolo[3,2-a]pyridinium

HCID 418115

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Basic information

CAS: 275-20-7
Standard SMILES: c1cc[n+]2ccsc2c1
InChIKey: HOSCTRRONGQPHD-UHFFFAOYSA-N
Molecular formula: C7H6NS+
Average molar mass: 136.2 g/mol
Monoisotopic mass: 136.02209537

Names & identifiers

Preferred name: Thiazolo[3,2-a]pyridinium
IUPAC: [1,3]thiazolo[3,2-a]pyridin-4-ium

Names & synonyms

275-20-7Thiazolo[3,2-a]pyridinium[1,3]thiazolo[3,2-a]pyridin-4-iumSCHEMBL4811063SCHEMBL4811068CHEMBL3306020HOSCTRRONGQPHD-UHFFFAOYSA-DTXSID20329184InChI=1/C7H6NS/c1-2-4-8-5-6-9-7(8)3-1/h1-6H/q+1

Database identifiers

CAS: 275-20-7
PubChem CID: 418115
DTXSID: DTXSID20329184
ChEMBL: CHEMBL3306020

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 32.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 1
Complexity: 105

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