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

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage95.1% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, P501

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

Weigh it out

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

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-2-methylsulfanyl-pyridine51933-78-954 % similar 2-(Methylthio)-5-pyrimidinecarbaldehyde90905-31-048 % similar 5-Bromo-2-methylpyrimidine7752-78-548 % similar 5-Bromo-4-chloro-2-methylsulfanyl-pyrimidine63810-78-647 % similar 2,5-Dibromopyrimidine32779-37-646 % similar 5-Bromo-2-chloropyrimidine32779-36-544 % similar 5-Bromo-2-methoxypyrimidine14001-66-243 % similar 5-Bromo-N,N-dimethylpyrimidin-2-amine38696-21-843 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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