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Sulfaguanidine
CAS: 57-67-0 | C7H10N4O2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
57-67-0
Molecular Formula:
C7H10N4O2S
Molecular Weight:
214.25 g/mol
Names and Synonyms:
Sulfaguanidine
Benzenesulfonamide, 4-amino-N-(aminoiminomethyl)-
Sulfanilamide, N1-amidino-
Sulfanilamide, N1-(diaminomethylene)-
4-Amino-N-(aminoiminomethyl)benzenesulfonamide
RP 2275
Abiguanil
N1-Amidinosulfanilamide
p-Aminobenzenesulfonylguanidine
Aterian
Ganidan
Guamide
Guanicil
Guanidan
N-Guanylsulfanilamide
N1-Guanylsulfanilamide
Resulfon
Ruocid
Suganyl
Sulfaguanidine
Sulfaguine
Sulfanilguanidine
Sulfanilylguanidine
Sulfoguanidine
Sulfoguenil
Sulgin
Emerin (pharmaceutical)
4-Aminophenylsulfonylguanidine
A 307
Sulphaguanidine
[(p-Aminophenyl)sulfonyl]guanidine
p-Aminobenzenesulfoguanidide
N1-Guanidylsulfanilamide
1-Sulfanilylguanidine
Sulfentidine
Orgaguanidon
Sulfaguanil
Sulfoguanil
Sulfoguanyl
Sulfaguanidin
1-[(p-Aminophenyl)sulfonyl]guanidine
4-Aminobenzenesulfonylguanidine
Diacta
Shigatox
NSC 14041
4-Amino-N-carbamimidoylbenzenesulfonamide
4-Amino-N-(diaminomethylene)benzenesulfonamide
1-Amino-4-([[amino(imino)methyl]amino]sulfonyl)benzene
2-(4-Aminophenyl)sulfonylguanidine
2-(4-Aminobenzenesulfonyl)guanidine
Identifiers:
SMILES:
N=C(N)NS(=O)(=O)c1ccc(N)cc1
InChI:
InChI=1S/C7H10N4O2S/c8-5-1-3-6(4-2-5)14(12,13)11-7(9)10/h1-4H,8H2,(H4,9,10,11)
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 214.25 g/mol | Legacy Database |
| cas-canonical-smile | O=S(=O)(NC(=N)N)C1=CC=C(N)C=C1 None | Legacy Database |
| cas-inchi | InChI=1S/C7H10N4O2S/c8-5-1-3-6(4-2-5)14(12,13)11-7(9)10/h1-4H,8H2,(H4,9,10,11) None | Legacy Database |
| cas-inchi-key | InChIKey=BRBKOPJOKNSWSG-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 191.5 °C None | Legacy Database |
| cas-name | Sulfaguanidine None | Legacy Database |
| LogP | -0.5594299999999999 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 214.25 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 214.05244656 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 14 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 4 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 122.05999999999999 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 53.09 | RDKit |
