2-Chloro-6-methoxybenzothiazole

C₈H₆ClNOSCAS 2605-14-3199.65 g/mol

Open in Covalent MOL file

Aryl halide Ether

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 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

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-Bromo-6-methoxy-1,3-benzothiazole2941-58-462 % similar 2-Chloro-6-methylbenzothiazole3507-26-458 % similar 2-Cyano-6-methoxybenzothiazole943-03-357 % similar 2,6-Dichlorobenzothiazole3622-23-957 % similar 2-Chloro-6-fluorobenzothiazole399-74-654 % similar 6-Bromo-2-chlorobenzothiazole80945-86-454 % similar 2,3-Dichloro-6-methoxyquinoxaline39267-04-451 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

7-Chloro-2H-1,4-benzothiazin-3(4H)-one5333-05-1 5-Chloro-2-methoxyphenyl isothiocyanate63429-99-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook