chempirical

2-Chlorobenzothiazole

C7H4ClNSCAS 615-20-3169.63 g/mol

Open in Covalent MOL file
ClNS
Aryl halide

Properties

Molecular formula
C7H4ClNS
Molar mass
169.63 g/mol
Exact mass
168.9753 Da
Melting point
24 °C
Boiling point
248 °C
logP
2.95Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
615-20-3
SMILES
Clc1nc2ccccc2s1
InChIKey
BSQLQMLFTHJVKS-UHFFFAOYSA-N
InChI
InChI=1S/C7H4ClNS/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H

Weigh it out

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

Names and synonyms

6 names
  • Benzothiazole, 2-chloro-
  • Benzothiazole, 1-chloro-
  • NSC 8442
  • 2-Chloro-1,3-benzothiazole
  • 2-Chlorobenzo[d]thiazole
  • 2-Chloro-1H-benzo[d]thiazole

Work with 2-Chlorobenzothiazole

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,6-Dichlorobenzothiazole3622-23-957 % similar 6-Bromo-2-chlorobenzothiazole80945-86-453 % similar 2-Fluorobenzothiazole1123-98-452 % similar 2-Methylbenzothiazole120-75-252 % similar Accelerator dm120-78-552 % similar Mercaptobenzothiazole149-30-452 % similar 2,2′-Methylenebis[benzothiazole]1945-78-452 % similar 2-Bromobenzothiazole2516-40-752 % similar

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

Same formula

4-Chlorophenyl isothiocyanate2131-55-7 3-Chlorophenyl isothiocyanate2392-68-9 4-Chlorothieno[3,2-C]pyridine27685-94-5 3-Chloro-1,2-benzisothiazole7716-66-7

Elsewhere

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