6-Methoxy-2-methylbenzothiazole

C9H9NOSCAS 2941-72-2179.24 g/mol

Open in Covalent MOL file
ONS
Ether

Properties

Molecular formula
C9H9NOS
Molar mass
179.24 g/mol
Exact mass
179.0405 Da
Melting point
182 °C (decomposes)
Boiling point
176 °C (at 25 Torr)
logP
2.61Crippen estimate
Polar surface area
22.1 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
2941-72-2
SMILES
COc1ccc2nc(C)sc2c1
InChIKey
DYHLJSUORLPGNT-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NOS/c1-6-10-8-4-3-7(11-2)5-9(8)12-6/h3-5H,1-2H3

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

Names and synonyms

3 names
  • Benzothiazole, 6-methoxy-2-methyl-
  • 2-Methyl-6-methoxybenzothiazole
  • NSC 93804

Work with 6-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

2-Chloro-6-methoxybenzothiazole2605-14-364 % similar 2-Bromo-6-methoxy-1,3-benzothiazole2941-58-464 % similar 2-Cyano-6-methoxybenzothiazole943-03-359 % similar 2,6-Dimethylbenzothiazole2941-71-159 % similar 2-Methyl-1,3-benzothiazol-6-amine2941-62-056 % similar 6-Methoxybenzothiazole2942-13-451 % 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 2-Methoxy-5-methylphenyl isothiocyanate190774-56-2 (S)-4-Phenyl-1,3-oxazolidine-2-thione190970-57-1 1-Ethoxy-2-isothiocyanatobenzene23163-84-0 5-Methoxy-2-methylbenzothiazole2941-69-7 1-Ethoxy-4-isothiocyanatobenzene3460-49-9 4-Methoxybenzyl isothiocyanate3694-57-3

Elsewhere

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