2-(4-Methylpyridin-2-yl)-3-oxo-3h-benzo[d]isothiazole

HCID 15871327
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Basic information

Standard SMILES
Cc1ccnc(-n2sc3ccccc3c2=O)c1
InChIKey
YFKGINSCCUDDAZ-UHFFFAOYSA-N
Molecular formula
C13H10N2OS
Average molar mass
242.3 g/mol

Names & identifiers

Preferred name
2-(4-Methylpyridin-2-yl)-3-oxo-3h-benzo[d]isothiazole
IUPAC
2-(4-methyl-2-pyridinyl)-1,2-benzothiazol-3-one

Names & synonyms

SCHEMBL7023310YFKGINSCCUDDAZ-UHFFFAOYSA-N2-(4-Methylpyridin-2-yl)-3-oxo-3h-benzo[d]isothiazole2-(4-Methylpyridin-2-yl)-3-oxo-3h-benzo [d]isothiazole

Database identifiers

PubChem CID
15871327

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
58.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
17

Related reactions

5 records
New reaction record

Linked notes

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