Thieno(3,2-d)pyrimidine-2,4(1H,3H)-dione

C₆H₄N₂O₂SCAS 16233-51-5168.17 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₄N₂O₂S
Molar mass: 168.17 g/mol
Exact mass: 167.9993 Da
logP: 0.28Crippen estimate
Polar surface area: 65.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 0

Identifiers

CAS number

16233-51-5

SMILES

C1=CSC2=C1NC(=O)NC2=O

InChIKey

QAFVXBQPQCSSLI-UHFFFAOYSA-N

InChI

InChI=1S/C6H4N2O2S/c9-5-4-3(1-2-11-4)7-6(10)8-5/h1-2H,(H2,7,8,9,10)

Weigh it out

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

Names and synonyms

1 names

1,3-Dihydrothiopheno[3,2-D]pyrimidine-2,4-dione

Work with Thieno(3,2-d)pyrimidine-2,4(1H,3H)-dione

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

3H,4H-Thieno[3,2-d]pyrimidin-4-one16234-10-938 % similar Quinoxalinedione15804-19-032 % similar 2,3-Dihydroxyquinoxaline6287-20-332 % similar Thieno(2,3-d)pyrimidin-4(3H)-one14080-50-331 % similar

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

Elsewhere

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