1,1'-Thiocarbonyldi-2(1H)-pyridone

C₁₁H₈N₂O₂SCAS 102368-13-8232.26 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₈N₂O₂S
Molar mass: 232.26 g/mol
Exact mass: 232.0306 Da
logP: 0.69Crippen estimate
Polar surface area: 44.0 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Identifiers

CAS number

102368-13-8

SMILES

C1=CC(=O)N(C=C1)C(=S)N2C=CC=CC2=O

InChIKey

KXMMNJQMGILZDB-UHFFFAOYSA-N

InChI

InChI=1S/C11H8N2O2S/c14-9-5-1-3-7-12(9)11(16)13-8-4-2-6-10(13)15/h1-8H

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 1,1'-Thiocarbonyldi-2(1H)-pyridone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Methyl-2(1H)-pyridinone694-85-943 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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