5-Bromo-2-methylsulfanyl-pyridine

C₆H₆BrNSCAS 51933-78-9204.08 g/mol

Open in Covalent MOL file

Aryl halide Sulfide

Properties

Molecular formula: C₆H₆BrNS
Molar mass: 204.08 g/mol
Exact mass: 202.9404 Da
logP: 2.57Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed97.8% of notifiers
H315 Causes skin irritation10.9% of notifiers
H318 Causes serious eye damage87% of notifiers
H319 Causes serious eye irritation10.9% of notifiers
H335 May cause respiratory irritation10.9% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

51933-78-9

SMILES

CSC1=NC=C(C=C1)Br

InChIKey

CFBYLVDSPYTKPR-UHFFFAOYSA-N

InChI

InChI=1S/C6H6BrNS/c1-9-6-3-2-5(7)4-8-6/h2-4H,1H3

Weigh it out

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

Names and synonyms

1 names

5-Bromo-2-(methylthio)pyridine

Work with 5-Bromo-2-methylsulfanyl-pyridine

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)pyrimidine14001-67-354 % similar 5-Bromo-2-methoxypyridine13472-85-048 % similar 5-Bromo-2-methylpyridine3430-13-548 % similar 5,5'-Dibromo-2,2'-bipyridine15862-18-748 % similar 4-Bromothioanisole104-95-046 % similar 2,5-Dibromopyridine624-28-246 % similar 5-Bromo-N,N-dimethylpyridin-2-amine26163-07-544 % similar 5-Bromo-2-(trifluoromethyl)pyridine436799-32-544 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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