chempirical

2-Chloro-6-methoxybenzothiazole

C8H6ClNOSCAS 2605-14-3199.65 g/mol

Open in Covalent MOL file
ONClS
Aryl halideEther

Properties

Molecular formula
C8H6ClNOS
Molar mass
199.65 g/mol
Exact mass
198.9859 Da
Melting point
43–44 °C
Boiling point
130–133 °C (at 7 Torr)
logP
2.96Crippen estimate
Polar surface area
22.1 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
2605-14-3
SMILES
COc1ccc2nc(Cl)sc2c1
InChIKey
FVUFTABOJFRHSU-UHFFFAOYSA-N
InChI
InChI=1S/C8H6ClNOS/c1-11-5-2-3-6-7(4-5)12-8(9)10-6/h2-4H,1H3

Weigh it out

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

Names and synonyms

6 names
  • Benzothiazole, 2-chloro-6-methoxy-
  • 6-Methoxy-2-chlorobenzothiazole
  • NSC 118120
  • 2-Chloro-6-methoxybenzo[d]thiazole
  • 2-Chloro-6-methoxy-1,3-benzothiazole
  • 2-Chloro-6-(methyloxy)-1,3-benzothiazole

Work with 2-Chloro-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-methylbenzothiazole2941-72-264 % similar 2,6-Dichlorobenzothiazole3622-23-957 % similar 6-Bromo-2-chlorobenzothiazole80945-86-454 % similar 2,3-Dichloro-6-methoxyquinoxaline39267-04-451 % similar 6-Methoxybenzothiazole2942-13-450 % similar 2-Chlorobenzothiazole615-20-349 % similar 5-Methoxy-2-methylbenzothiazole2941-69-748 % similar 2-Chloro-6-nitrobenzothiazole2407-11-647 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook