chempirical

5-Fluoro-3-methyl-benzo[b]thiophene

C9H7FSCAS 17514-63-5166.21 g/mol

Open in Covalent MOL file
SF
Aryl halide

Properties

Molecular formula
C9H7FS
Molar mass
166.21 g/mol
Exact mass
166.0252 Da
logP
3.35Crippen estimate
Polar surface area
0.0 Ų
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
17514-63-5
SMILES
CC1=CSC2=C1C=C(C=C2)F
InChIKey
ARYSXQXKEJNADL-UHFFFAOYSA-N
InChI
InChI=1S/C9H7FS/c1-6-5-11-9-3-2-7(10)4-8(6)9/h2-5H,1H3

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Names and synonyms

1 names
  • 5-Fluoro-3-methylbenzo[B]thiophene

Work with 5-Fluoro-3-methyl-benzo[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

3,5-Dimethylthianaphthene1964-45-061 % similar 5-Chloro-3-methylbenzo[b]thiophene19404-18-358 % similar 3-Methylbenzothiophene1455-18-152 % similar 4-Fluoro-1,2-dimethylbenzene452-64-247 % similar 5-Fluoro-3-methyl-1H-indole392-13-244 % similar 1,4-Difluoro-2-methylbenzene452-67-544 % similar 2,4-Difluoro-1-methylbenzene452-76-644 % similar 4-Fluoro-2-iodo-1-methylbenzene13194-67-742 % similar

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

Elsewhere

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