chempirical

5-Methoxy-2-methylbenzothiazole

C9H9NOSCAS 2941-69-7179.24 g/mol

Open in Covalent MOL file
OSN
Ether

Properties

Molecular formula
C9H9NOS
Molar mass
179.24 g/mol
Exact mass
179.0405 Da
Melting point
43–47 °C
logP
2.61Crippen estimate
Polar surface area
22.1 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
2941-69-7
SMILES
COc1ccc2sc(C)nc2c1
InChIKey
SAQMNBWVOKYKPZ-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NOS/c1-6-10-8-5-7(11-2)3-4-9(8)12-6/h3-5H,1-2H3

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Names and synonyms

2 names
  • Benzothiazole, 5-methoxy-2-methyl-
  • 2-Methyl-5-methoxy-1,3-benzothiazole

Work with 5-Methoxy-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

5-Chloro-2-methylbenzothiazole1006-99-160 % similar 2,5-Dimethylbenzothiazole95-26-159 % similar 5-Amino-2-methylbenzothiazole13382-43-956 % similar 5-Fluoro-2-methylbenzothiazole399-75-756 % similar 5-Bromo-2-methylbenzothiazole63837-11-656 % similar 2-Methyl-5-phenylbenzothiazole71215-89-954 % similar 2-Methylbenzothiazole120-75-250 % similar 2-Methylnaphtho[2,3-D]thiazole6957-25-149 % similar

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

Same formula

3-(Pyrrol-1-yl)thiophene-2-methanol107073-27-8 1-Ethoxy-2-isothiocyanatobenzene23163-84-0 6-Methoxy-2-methylbenzothiazole2941-72-2 1-Ethoxy-4-isothiocyanatobenzene3460-49-9 4-Methoxybenzyl isothiocyanate3694-57-3

Elsewhere

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