chempirical

6-Methoxybenzothiazole

C8H7NOSCAS 2942-13-4165.21 g/mol

Open in Covalent MOL file
ONS
Ether

Properties

Molecular formula
C8H7NOS
Molar mass
165.21 g/mol
Exact mass
165.0248 Da
Melting point
72.5–73 °C
logP
2.30Crippen estimate
Polar surface area
22.1 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
2942-13-4
SMILES
COc1ccc2ncsc2c1
InChIKey
AHOIGFLSEXUWNV-UHFFFAOYSA-N
InChI
InChI=1S/C8H7NOS/c1-10-6-2-3-7-8(4-6)11-5-9-7/h2-5H,1H3

Weigh it out

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

Names and synonyms

3 names
  • Benzothiazole, 6-methoxy-
  • NSC 508406
  • 6-Methoxy-1,3-benzothiazole

Work with 6-Methoxybenzothiazole

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

6-Methoxy-2-methylbenzothiazole2941-72-251 % similar 2-Chloro-6-methoxybenzothiazole2605-14-350 % similar 6-Benzothiazolamine533-30-250 % similar 6-Methoxy-4-methylquinoline41037-26-747 % similar 5-Methoxybenzimidazole4887-80-346 % similar 6-Methoxyquinoline5263-87-646 % similar 6-Methoxy-2-methylquinoline1078-28-045 % similar 1,2,4-Trimethoxybenzene135-77-344 % similar

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

Same formula

4-(Methylthio)phenyl isocyanate1632-84-4 4-Methoxyphenyl isothiocyanate2284-20-0 3-(Methylthio)phenyl isocyanate28479-19-8 1-Isothiocyanato-3-methoxybenzene3125-64-2 2H-1,4-Benzothiazin-3(4H)-one5325-20-2

Elsewhere

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