7-Chloro-2H-1,4-benzothiazin-3(4H)-one

C₈H₆ClNOSCAS 5333-05-1199.65 g/mol

Open in Covalent MOL file

Amide Aryl halide Lactam Sulfide

Properties

Molecular formula: C₈H₆ClNOS
Molar mass: 199.65 g/mol
Exact mass: 198.9859 Da
logP: 2.38Crippen estimate
Polar surface area: 29.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

5333-05-1

SMILES

C1C(=O)NC2=C(S1)C=C(C=C2)Cl

InChIKey

JNPOLSNJHCFNCG-UHFFFAOYSA-N

InChI

InChI=1S/C8H6ClNOS/c9-5-1-2-6-7(3-5)12-4-8(11)10-6/h1-3H,4H2,(H,10,11)

Weigh it out

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

Work with 7-Chloro-2H-1,4-benzothiazin-3(4H)-one

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-Chlorooxindole17630-75-055 % similar 2,3-Dihydro-6-(trifluoromethyl)benzo[1,4]-thiazin-3-one716-82-548 % similar 6-Chloro-2H-1,4-benzoxazin-3(4H)-one7652-29-148 % similar 2-[(2,5-Dichlorophenyl)thio]acetic acid6274-27-747 % similar N-(4-Chloro-2-methylphenyl)-3-oxobutanamide20139-55-346 % similar Methyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate188614-01-945 % similar 4-Chloro-1,3-dihydro-2H-indol-2-one20870-77-341 % similar 5-Chloroisatin17630-76-140 % similar

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

Same formula

2-Chloro-6-methoxybenzothiazole2605-14-3 5-Chloro-2-methoxyphenyl isothiocyanate63429-99-2

Elsewhere

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