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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
Sulfamethazine
Benzenesulfonamide, 4-amino-N-(4,6-dimethyl-2-pyrimidinyl)-
Sulfanilamide, N1-(4,6-dimethyl-2-pyrimidinyl)-
4-Amino-N-(4,6-dimethyl-2-pyrimidinyl)benzenesulfonamide
Azolmetazin
Cremomethazine
Diazil
N1-(4,6-Dimethyl-2-pyrimidinyl)sulfanilamide
N1-(4,6-Dimethyl-2-pyrimidyl)sulfanilamide
4,6-Dimethyl-2-sulfanilamidopyrimidine
Dimezathine
Mermeth
Neazina
Pirmazin
Sulfadimerazine
Sulfadimesine
Sulfadimethyldiazine
Sulfadimethylpyrimidine
Sulfadimezine
Sulfadimidine
Sulfamethazine
Sulfamethiazine
2-Sulfanilamido-4,6-dimethylpyrimidine
Sulfodimesin
Sulphadimethylpyrimidine
Sulphadimidine
Vertolan
Sulfodimezine
Superseptil
Spanbolet
Superseptyl
Sulfadimesin
A 502
Sulphamethasine
2-(p-Aminobenzenesulfonamido)-4,6-dimethylpyrimidine
N-(4,6-Dimethyl-2-pyrimidyl)sulfanilamide
Sulphamethazine
Sulfadimezin
Sulphodimezine
Sulfadimidin
Kelametazine
Diazyl
Sulphamezathine
Sulphamidine
Neasina
2-(4-Aminobenzenesulfonamido)-4,6-dimethylpyrimidine
BN 2409
Calfspan
S-Dimidine
SulfaSURE SR Bolus
Sulka K Boluses
Dimidin R
DiazilSulfadine
Calfspan Tablets
NSC 67457
NSC 683529
Sustain III
Panazin
2-(4-Aminobenzenesulfonylamino)-4,6-dimethylpyrimidine
4-Amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
SMZ
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
| Category | Property | Value | Source |
|---|---|---|---|
| Molecular | Molecular Weight | 278.337 g/mol | RDKit |
| Exact | Exact Molecular Weight | 278.083746688 g/mol | RDKit |
| Heavy | Heavy Atom Count | 19 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 5 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit | |
| Rotatable | Rotatable Bonds | 3 count | RDKit |
| Aromatic | Aromatic Ring Count | 2 count | RDKit |
| Topological | Topological Polar Surface Area | 97.97 Ų | RDKit |
| Physical Properties | 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 | Legacy Database | |
| cas-density | 1.4655 g/cm3 | 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) | Legacy Database | |
| cas-inchi-key | InChIKey=ASWVTGNCAZCNNR-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 198.5 °C | Legacy Database | |
| cas-name | Sulfamethazine | Legacy Database | |
| Molar | Molar Refractivity | 73.16890000000002 | RDKit |
