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

C6H4N2OSCAS 16234-10-9152.17 g/mol

Open in Covalent MOL file
SNHNO

Properties

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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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

9-Deazahypoxanthine5655-01-647 % similar 7-Bromothieno(3,2-d)pyrimidin-4-ol31169-25-245 % similar 6-Bromoquinazolin-4-ol32084-59-645 % similar 7-Bromo-1H-quinazolin-4-one194851-16-641 % similar 5-Fluoroquinazolin-4-ol436-72-641 % similar 4-Chlorothieno[3,2-D]pyrimidine16269-66-240 % similar 7-Chlorothieno[3,2-B]pyridine69627-03-839 % similar Thieno(3,2-d)pyrimidine-2,4(1H,3H)-dione16233-51-538 % 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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