chempirical

3-Bromopyridine-2-thiol

C5H4BrNSCAS 65938-86-5190.06 g/mol

Open in Covalent MOL file
NHSBr
Aryl halide

Properties

Molecular formula
C5H4BrNS
Molar mass
190.06 g/mol
Exact mass
188.9248 Da
logP
2.51Crippen estimate
Polar surface area
15.8 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

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

Identifiers

CAS number
65938-86-5
SMILES
C1=CNC(=S)C(=C1)Br
InChIKey
DYSAQUBMKLAXTJ-UHFFFAOYSA-N
InChI
InChI=1S/C5H4BrNS/c6-4-2-1-3-7-5(4)8/h1-3H,(H,7,8)

Weigh it out

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

Work with 3-Bromopyridine-2-thiol

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

3-Aminopyridine-2-thiol38240-21-052 % similar 3-(Trifluoromethyl)pyridine-2-thiol104040-74-647 % similar 7-Bromoindole51417-51-737 % similar 4-Bromoindole52488-36-537 % similar 1,2-Dibromobenzene583-53-936 % similar Dipyrrylmethane21211-65-433 % similar 3-Bromoindole1484-27-132 % similar 2,2'-Dibromobiphenyl13029-09-932 % similar

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

Elsewhere

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