5-Fluoro-2-methylbenzothiazole

C₈H₆FNSCAS 399-75-7167.20 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₆FNS
Molar mass: 167.20 g/mol
Exact mass: 167.0205 Da
Boiling point: 110–112 °C (at 7 Torr)
logP: 2.74Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Identifiers

CAS number

399-75-7

SMILES

Cc1nc2cc(F)ccc2s1

InChIKey

LDBFGRGBYVULTJ-UHFFFAOYSA-N

InChI

InChI=1S/C8H6FNS/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,1H3

Weigh it out

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Names and synonyms

2 names

Benzothiazole, 5-fluoro-2-methyl-
5-Fluoro-2-methyl-1,3-benzothiazole

Work with 5-Fluoro-2-methylbenzothiazole

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

2,5-Dimethylbenzothiazole95-26-163 % similar 5-Chloro-2-methylbenzothiazole1006-99-159 % similar 5-Amino-2-methylbenzothiazole13382-43-959 % similar 5-Bromo-2-methylbenzothiazole63837-11-659 % similar 2-Methyl-5-phenylbenzothiazole71215-89-957 % similar 5-Methoxy-2-methylbenzothiazole2941-69-756 % similar 2-Methylbenzothiazole120-75-253 % similar 2,5,6-Trimethylbenzothiazole5683-41-052 % similar

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

Same formula

4-Fluoro-2-isothiocyanato-1-methylbenzene175205-39-7 1-Fluoro-4-(isothiocyanatomethyl)benzene2740-88-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook