3H,4H-Thieno[3,2-d]pyrimidin-4-one

C₆H₄N₂OSCAS 16234-10-9152.17 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

16234-10-9

SMILES

C1=CSC2=C1N=CNC2=O

InChIKey

PZMKGWRBZNOIPQ-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

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

Work with 3H,4H-Thieno[3,2-d]pyrimidin-4-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

Thieno(3,2-d)pyrimidine-2,4(1H,3H)-dione16233-51-538 % similar 5-Bromo-3H-imidazo[4,5-B]pyridine28279-52-932 % similar Imidazo[4,5-B]pyridine273-21-231 % similar 1H-Benzimidazole-5-carboxylic acid15788-16-630 % similar

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

Same formula

Thieno(2,3-d)pyrimidin-4(3H)-one14080-50-3

Elsewhere

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