chempirical

2,6-Dichlorobenzothiazole

C7H3Cl2NSCAS 3622-23-9204.07 g/mol

Open in Covalent MOL file
ClNClS
Aryl halide

Properties

Molecular formula
C7H3Cl2NS
Molar mass
204.07 g/mol
Exact mass
202.9363 Da
Melting point
101 °C
logP
3.60Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
3622-23-9
SMILES
Clc1ccc2nc(Cl)sc2c1
InChIKey
QDZGJGWDGLHVNK-UHFFFAOYSA-N
InChI
InChI=1S/C7H3Cl2NS/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H

Weigh it out

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

Names and synonyms

4 names
  • Benzothiazole, 2,6-dichloro-
  • 2,6-Dichlorobenzo[d]thiazole
  • 2,6-Dichloro-1,3-benzothiazole
  • 2-Chloro-6-chlorobenzo[d]thiazole

Work with 2,6-Dichlorobenzothiazole

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-Bromo-2-chlorobenzothiazole80945-86-463 % similar 2-Chloro-6-methoxybenzothiazole2605-14-357 % similar 2-Chlorobenzothiazole615-20-357 % similar 2-Chloro-6-nitrobenzothiazole2407-11-653 % similar 5-Chloro-2-methylbenzothiazole1006-99-144 % similar 5-Chloro-2(3H)-benzothiazolone20600-44-644 % similar 5-Chloro-2-mercaptobenzothiazole5331-91-944 % similar 2,6-Dichloroquinoline1810-72-640 % similar

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

Same formula

1,2-Dichloro-4-isothiocyanatobenzene6590-94-9 2,6-Dichlorophenyl isothiocyanate6590-95-0 2,4-Dichlorophenyl isothiocyanate6590-96-1

Elsewhere

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