Back to Search
(±)-Chlormezanone
CAS: 80-77-3 | C11H12ClNO3S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
80-77-3
Molecular Formula:
C11H12ClNO3S
Molecular Mass:
273.74 g/mol
Names and Synonyms:
(±)-Chlormezanone
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
(±)-Chlormezanone
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
Identifiers:
SMILES:
CN1C(=O)CCS(=O)(=O)C1c1ccc(Cl)cc1
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
Key Properties
Melting Point
116.2-118.2 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 273.74 g/mol | CAS Common Chemistry |
| 273.741 g/mol | RDKit | |
| 273.022641924 g/mol | RDKit | |
| Canonical SMILES | O=C1N(C)C(C2=CC=C(Cl)C=C2)S(=O)(=O)CC1 | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=WEQAYVWKMWHEJO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 116.2-118.2 °C | CAS Common Chemistry |
| Name | (±)-Chlormezanone | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 54.45 Ų | RDKit |
| LogP | 1.6155000000000002 | RDKit |
| Molar Refractivity | 65.36680000000003 | RDKit |
