chempirical

5-Chloro-2(3H)-benzothiazolone

C7H4ClNOSCAS 20600-44-6185.63 g/mol

Open in Covalent MOL file
HONClS
Aryl halidePhenol

Properties

Molecular formula
C7H4ClNOS
Molar mass
185.63 g/mol
Exact mass
184.9702 Da
Melting point
218 °C
logP
2.66Crippen estimate
Polar surface area
33.1 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Identifiers

CAS number
20600-44-6
SMILES
Oc1nc2cc(Cl)ccc2s1
InChIKey
NOVHYVKPKWACML-UHFFFAOYSA-N
InChI
InChI=1S/C7H4ClNOS/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)

Weigh it out

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

Names and synonyms

9 names
  • 2(3H)-Benzothiazolone, 5-chloro-
  • 2-Benzothiazolol, 5-chloro-
  • 2-Benzothiazolinone, 5-chloro-
  • 5-Chloro-2-benzothiazolinone
  • 5-Chloro-2-hydroxybenzothiazole
  • 5-Chloro-2-benzothiazolone
  • 5-Chloro-2-oxobenzothiazoline
  • 5-Chloro-3H-benzothiazol-2-one
  • 5-Chloro-1,3-benzothiazol-2(3H)-one

Work with 5-Chloro-2(3H)-benzothiazolone

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

5-Chloro-2-methylbenzothiazole1006-99-159 % similar 5-Chloro-2-mercaptobenzothiazole5331-91-959 % similar 2-Benzothiazolinone934-34-953 % similar 6-Bromo-2-benzothiazolinone62266-82-446 % similar 2,6-Dichlorobenzothiazole3622-23-944 % similar Chlorzoxazone95-25-042 % similar 6-Chloro-2,3-dihydrobenzoxazol-2-one19932-84-438 % similar 2,6-Dichloroquinoxaline18671-97-137 % similar

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

Same formula

5-Chloro-2-mercaptobenzoxazole22876-19-3 6-Chloro-2-mercaptobenzoxazole22876-20-6 4-Chloro-2(3H)-benzothiazolone39205-62-4

Elsewhere

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