chempirical

3-Ethyl-2-methylbenzothiazolium iodide

C10H12INSCAS 3119-93-5305.18 g/mol

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N+SI−

Properties

Molecular formula
C10H12INS
Molar mass
305.18 g/mol
Exact mass
304.9735 Da
Melting point
193–194 °C
logP
-0.48Crippen estimate
Polar surface area
3.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
3119-93-5
SMILES
CC[n+]1c(C)sc2ccccc21.[I-]
InChIKey
HWFCSPDBFXYFKY-UHFFFAOYSA-M
InChI
InChI=1S/C10H12NS.HI/c1-3-11-8(2)12-10-7-5-4-6-9(10)11;/h4-7H,3H2,1-2H3;1H/q+1;/p-1

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

Names and synonyms

9 names
  • Benzothiazolium, 3-ethyl-2-methyl-, iodide (1:1)
  • Benzothiazolium, 3-ethyl-2-methyl-, iodide
  • 2-Methylbenzothiazole ethyl iodide
  • 2-Methyl-3-ethylbenzothiazolium iodide
  • 2-Methylbenzothiazole ethiodide
  • N-Ethyl-2-methylbenzothiazolium iodide
  • 3-Ethyl-2-methyl-1,3-benzothiazol-3-ium iodide
  • 3-Ethyl-2-methylbenzothiozolium iodide
  • 3-Ethyl-2-methylbenzo[d]thiazol-3-ium iodide

Work with 3-Ethyl-2-methylbenzothiazolium iodide

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

1-Ethyl-2-methylquinolinium iodide606-55-348 % similar 1-Ethylquinolinium iodide634-35-540 % similar Quinaldine red117-92-033 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook