5-Bromo-2-(methylsulfanyl)pyrimidine

C₅H₅BrN₂SCAS 14001-67-3205.07 g/mol

Open in Covalent MOL file

Aryl halide Sulfide

Properties

Molecular formula: C₅H₅BrN₂S
Molar mass: 205.07 g/mol
Exact mass: 203.9357 Da
logP: 1.96Crippen estimate
Polar surface area: 25.8 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Identifiers

CAS number

14001-67-3

SMILES

CSC1=NC=C(C=N1)Br

InChIKey

WFLSPLBDSJLPFW-UHFFFAOYSA-N

InChI

InChI=1S/C5H5BrN2S/c1-9-5-7-2-4(6)3-8-5/h2-3H,1H3

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Names and synonyms

1 names

5-Bromo-2-(methylthio)pyrimidine

Work with 5-Bromo-2-(methylsulfanyl)pyrimidine

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

5-Bromo-N,N-dimethyl-2-pyrimidinamine38696-21-843 % similar 5-Bromo-2-pyrimidinol214290-49-042 % similar 5-Bromo-2(1H)-pyrimidinone38353-06-942 % similar 5-Bromo-2-fluoropyrimidine62802-38-442 % similar 4-Bromothioanisole104-95-041 % similar 5-Bromo-2-(methylsulfonyl)pyrimidine38275-48-839 % similar 2-(Methylthio)pyrazine21948-70-938 % similar 5-Bromo-2-methylpyridine3430-13-538 % similar

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

Elsewhere

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