4-Chloro-2(3H)-benzothiazolone

C₇H₄ClNOSCAS 39205-62-4185.63 g/mol

Open in Covalent MOL file

Aryl halide Phenol

Properties

Molecular formula: C₇H₄ClNOS
Molar mass: 185.63 g/mol
Exact mass: 184.9702 Da
Melting point: 204–205 °C
logP: 2.66Crippen estimate
Polar surface area: 33.1 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Identifiers

CAS number

39205-62-4

SMILES

Oc1nc2c(Cl)cccc2s1

InChIKey

MBFOZAKOORJAMK-UHFFFAOYSA-N

InChI

InChI=1S/C7H4ClNOS/c8-4-2-1-3-5-6(4)9-7(10)11-5/h1-3H,(H,9,10)

Weigh it out

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

Names and synonyms

5 names

2(3H)-Benzothiazolone, 4-chloro-
2-Benzothiazolol, 4-chloro-
4-Chloro-2-oxobenzothiazoline
4-Chloro-2-hydroxybenzothiazole
4-Chloro-2-benzothiazolinone

Work with 4-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

2-Benzothiazolinone934-34-950 % similar 6-Bromo-2-benzothiazolinone62266-82-439 % similar 2-Chloro-4-methylbenzothiazole3622-32-037 % similar 2-Chlorophenol95-57-834 % similar 3-Chloro-2-methylphenol3260-87-534 % similar 8-Chloroquinoline611-33-634 % similar 4-Chlorobenzo[B]thiophene66490-33-334 % similar 2-Hydrazino-4-methylbenzothiazole20174-68-934 % similar

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

Same formula

5-Chloro-2(3H)-benzothiazolone20600-44-6 5-Chloro-2-mercaptobenzoxazole22876-19-3 6-Chloro-2-mercaptobenzoxazole22876-20-6

Elsewhere

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