2-Bromo-5-chloro-3-methylbenzo(b)thiophene

C₉H₆BrClSCAS 175203-60-8261.56 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₆BrClS
Molar mass: 261.56 g/mol
Exact mass: 259.9062 Da
logP: 4.63Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 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

175203-60-8

SMILES

CC1=C(SC2=C1C=C(C=C2)Cl)Br

InChIKey

RWFPSUKDYYBMHU-UHFFFAOYSA-N

InChI

InChI=1S/C9H6BrClS/c1-5-7-4-6(11)2-3-8(7)12-9(5)10/h2-4H,1H3

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Names and synonyms

1 names

2-Bromo-5-chloro-3-methylbenzo[B]thiophene

Work with 2-Bromo-5-chloro-3-methylbenzo(b)thiophene

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-Chloro-3-methylbenzo[b]thiophene-2-sulfonyl chloride166964-33-654 % similar 2-Acetyl-5-chloro-3-methylthianaphthene51527-18-554 % similar 2-Chlorothioxanthone86-39-545 % similar 5-Chloro-3-methylbenzo[b]thiophene19404-18-345 % similar 5-Chloro-2-methylbenzothiazole1006-99-140 % similar 1-Bromo-4-chloro-2-methylbenzene14495-51-338 % similar 2-Bromo-4-chloro-1-methylbenzene27139-97-538 % similar 2,8-Dimethyldibenzothiophene1207-15-437 % similar

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

Same formula

3-(Bromomethyl)-5-chlorobenzo[B]thiophene1198-51-2

Elsewhere

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