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Sulfadine
CAS: 57-68-1 | C12H14N4O2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
57-68-1
Molecular Formula:
C12H14N4O2S
Molecular Weight:
278.337 g/mol
Names and Synonyms:
Sulfadine
Synonym
Sulfamethazine
Synonym
Benzenesulfonamide, 4-amino-N-(4,6-dimethyl-2-pyrimidinyl)-
Synonym
Sulfanilamide, N1-(4,6-dimethyl-2-pyrimidinyl)-
Synonym
4-Amino-N-(4,6-dimethyl-2-pyrimidinyl)benzenesulfonamide
Synonym
Azolmetazin
Synonym
Cremomethazine
Synonym
Diazil
Synonym
N1-(4,6-Dimethyl-2-pyrimidinyl)sulfanilamide
Synonym
N1-(4,6-Dimethyl-2-pyrimidyl)sulfanilamide
Synonym
4,6-Dimethyl-2-sulfanilamidopyrimidine
Synonym
Dimezathine
Synonym
Mermeth
Synonym
Neazina
Synonym
Pirmazin
Synonym
Sulfadimerazine
Synonym
Sulfadimesine
Synonym
Sulfadimethyldiazine
Synonym
Sulfadimethylpyrimidine
Synonym
Sulfadimezine
Synonym
Sulfadimidine
Synonym
Sulfamethazine
Synonym
Sulfamethiazine
Synonym
2-Sulfanilamido-4,6-dimethylpyrimidine
Synonym
Sulfodimesin
Synonym
Sulphadimethylpyrimidine
Synonym
Sulphadimidine
Synonym
Vertolan
Synonym
Sulfodimezine
Synonym
Superseptil
Synonym
Spanbolet
Synonym
Superseptyl
Synonym
Sulfadimesin
Synonym
A 502
Synonym
Sulphamethasine
Synonym
2-(p-Aminobenzenesulfonamido)-4,6-dimethylpyrimidine
Synonym
N-(4,6-Dimethyl-2-pyrimidyl)sulfanilamide
Synonym
Sulphamethazine
Synonym
Sulfadimezin
Synonym
Sulphodimezine
Synonym
Sulfadimidin
Synonym
Kelametazine
Synonym
Diazyl
Synonym
Sulphamezathine
Synonym
Sulphamidine
Synonym
Neasina
Synonym
2-(4-Aminobenzenesulfonamido)-4,6-dimethylpyrimidine
Synonym
BN 2409
Synonym
Calfspan
Synonym
S-Dimidine
Synonym
SulfaSURE SR Bolus
Synonym
Sulka K Boluses
Synonym
Dimidin R
Synonym
DiazilSulfadine
Synonym
Calfspan Tablets
Synonym
NSC 67457
Synonym
NSC 683529
Synonym
Sustain III
Synonym
Panazin
Synonym
2-(4-Aminobenzenesulfonylamino)-4,6-dimethylpyrimidine
Synonym
4-Amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
Synonym
SMZ
Synonym
Identifiers:
SMILES:
Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1
InChI:
InChI=1S/C12H14N4O2S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 278.337 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 278.083746688 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 19 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 5 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 3 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 2 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 97.97 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.4764399999999998 | RDKit |
| molecular_mass | 278.34 g/mol | Legacy Database |
| density | 1.47 g/cm³ | Legacy Database |
| cas-canonical-smile | O=S(=O)(NC=1N=C(C=C(N1)C)C)C2=CC=C(N)C=C2 None | Legacy Database |
| cas-density | 1.4655 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C12H14N4O2S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16) None | Legacy Database |
| cas-inchi-key | InChIKey=ASWVTGNCAZCNNR-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 198.5 °C None | Legacy Database |
| cas-name | Sulfamethazine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 73.16890000000002 | RDKit |