chempirical

(±)-Chlormezanone

C11H12ClNO3SCAS 80-77-3273.73 g/mol

Open in Covalent MOL file
NOSOOCl
AmideAryl halideLactamSulfone

Properties

Molecular formula
C11H12ClNO3S
Molar mass
273.73 g/mol
Exact mass
273.0226 Da
Melting point
116.2–118.2 °C
logP
1.62Crippen estimate
Polar surface area
54.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
80-77-3
SMILES
CN1C(=O)CCS(=O)(=O)C1c1ccc(Cl)cc1
InChIKey
WEQAYVWKMWHEJO-UHFFFAOYSA-N
InChI
InChI=1S/C11H12ClNO3S/c1-13-10(14)6-7-17(15,16)11(13)8-2-4-9(12)5-3-8/h2-5,11H,6-7H2,1H3

Weigh it out

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

Names and synonyms

35 names · show all
  • 4H-1,3-Thiazin-4-one, 2-(4-chlorophenyl)tetrahydro-3-methyl-, 1,1-dioxide
  • 4H-1,3-Thiazin-4-one, 2-(p-chlorophenyl)tetrahydro-3-methyl-, 1,1-dioxide
  • Chlormethazone
  • 2-(4-Chlorophenyl)-3-methyl-4-metathiazanone-1,1-dioxide
  • 2-(p-Chlorophenyl)tetrahydro-3-methyl-4H-1,3-thiazin-4-one 1,1-dioxide
  • 2-(p-Chlorphenyl)-3-methyl-1,3-perhydrothiazin-4-on-1,1-dioxide
  • Phenarol
  • Trancopal
  • Chlormethazanone
  • Chlormezanone
  • 2-(p-Chlorophenyl)-3-methyl-1,3-perhydrothiazin-4-one 1,1-dioxide
  • Mio-sed
  • Tanafol
  • Fenarol
  • Rilansyl
  • Rilaquil
  • Rilassol
  • Muskel trancopal
  • Dl-Chlormezanone
  • (±)-Fenarol
  • Supotran
  • Suprotran
  • Rilasol
  • Dichloromezanone
  • Lobak
  • Trancote
  • Banabin-sintyal
  • Rexan
  • Alinam
  • Transanate
  • NSC 169108
  • 2-(4-Chlorophenyl)-3-methyl-1,1-dioxo-1,3-thiazinan-4-one
  • 2-(4-Chlorophenyl)-3-methyl-1λ6,3-thiazinane-1,1,4-trione
  • 2-(4-Chlorophenyl)-3-methyl-1,3-thiazinan-4-one1,1-dioxide
  • 2-(4-Chlorophenyl)-3-methyl-1,3-thiazinan-4-one 1,1-dioxide

Work with (±)-Chlormezanone

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

1-(4-Chlorophenyl)-3-methyl-5-pyrazolone13024-90-333 % similar 3-(4-Chlorophenyl) glutarate35271-74-033 % similar DL-2-(4-chlorophenyl)propanoic acid938-95-433 % similar 2-(4-Chlorophenyl)-3-methylbutyric acid2012-74-033 % similar 1-(4-Chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid39629-87-332 % similar trans-4-(4-Chlorophenyl)cyclohexanecarboxylic acid49708-81-832 % similar 1-[(4-Chlorophenyl)sulfonyl]-2-propanone5000-48-632 % similar 4-(4-Chlorophenyl)cyclohexanecarboxylic acid95233-37-732 % similar

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

Elsewhere

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