Thieno(2,3-d)pyrimidin-4(3H)-one

C₆H₄N₂OSCAS 14080-50-3152.17 g/mol

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Properties

Molecular formula: C₆H₄N₂OS
Molar mass: 152.17 g/mol
Exact mass: 152.0044 Da
logP: 0.98Crippen estimate
Polar surface area: 45.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Identifiers

CAS number

14080-50-3

SMILES

C1=CSC2=C1C(=O)NC=N2

InChIKey

JEDVKUHCDPPWNR-UHFFFAOYSA-N

InChI

InChI=1S/C6H4N2OS/c9-5-4-1-2-10-6(4)8-3-7-5/h1-3H,(H,7,8,9)

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

Names and synonyms

1 names

Thieno[2,3-D]pyrimidin-4(3H)one

Work with Thieno(2,3-d)pyrimidin-4(3H)-one

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

2,4-Dichlorothieno[2,3-D]pyrimidine18740-39-132 % similar 4-Chlorothieno[3,2-C]pyridine27685-94-532 % similar Thieno(3,2-d)pyrimidine-2,4(1H,3H)-dione16233-51-531 % similar

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

Same formula

3H,4H-Thieno[3,2-d]pyrimidin-4-one16234-10-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook