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Molecule
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 Mass
- 214.25 g/mol
Identifiers
CAS Registry Number
57-67-0
SMILES
N=C(N)NS(=O)(=O)c1ccc(N)cc1
InChI Key
BRBKOPJOKNSWSG-UHFFFAOYSA-N
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)
Names and Synonyms
- Sulfaguanidine Synonym
- Benzenesulfonamide, 4-amino-N-(aminoiminomethyl)- Synonym
- Sulfanilamide, N1-amidino- Synonym
- Sulfanilamide, N1-(diaminomethylene)- Synonym
- 4-Amino-N-(aminoiminomethyl)benzenesulfonamide Synonym
- RP 2275 Synonym
- Abiguanil Synonym
- N1-Amidinosulfanilamide Synonym
- p-Aminobenzenesulfonylguanidine Synonym
- Aterian Synonym
- Ganidan Synonym
- Guamide Synonym
- Guanicil Synonym
- Guanidan Synonym
- N-Guanylsulfanilamide Synonym
- N1-Guanylsulfanilamide Synonym
- Resulfon Synonym
- Ruocid Synonym
- Suganyl Synonym
- Sulfaguanidine Synonym
- Sulfaguine Synonym
- Sulfanilguanidine Synonym
- Sulfanilylguanidine Synonym
- Sulfoguanidine Synonym
- Sulfoguenil Synonym
- Sulgin Synonym
- Emerin (pharmaceutical) Synonym
- 4-Aminophenylsulfonylguanidine Synonym
- A 307 Synonym
- Sulphaguanidine Synonym
- [(p-Aminophenyl)sulfonyl]guanidine Synonym
- p-Aminobenzenesulfoguanidide Synonym
- N1-Guanidylsulfanilamide Synonym
- 1-Sulfanilylguanidine Synonym
- Sulfentidine Synonym
- Orgaguanidon Synonym
- Sulfaguanil Synonym
- Sulfoguanil Synonym
- Sulfoguanyl Synonym
- Sulfaguanidin Synonym
- 1-[(p-Aminophenyl)sulfonyl]guanidine Synonym
- 4-Aminobenzenesulfonylguanidine Synonym
- Diacta Synonym
- Shigatox Synonym
- NSC 14041 Synonym
- 4-Amino-N-carbamimidoylbenzenesulfonamide Synonym
- 4-Amino-N-(diaminomethylene)benzenesulfonamide Synonym
- 1-Amino-4-([[amino(imino)methyl]amino]sulfonyl)benzene Synonym
- 2-(4-Aminophenyl)sulfonylguanidine Synonym
- 2-(4-Aminobenzenesulfonyl)guanidine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 214.25 g/mol | CAS Common Chemistry |
| 214.243 g/mol | chempirical lib | |
| Canonical SMILES | O=S(=O)(NC(=N)N)C1=CC=C(N)C=C1 | CAS Common Chemistry |
| 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) | CAS Common Chemistry |
| InChI Key | InChIKey=BRBKOPJOKNSWSG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 191.5 °C | CAS Common Chemistry |
| Name | Sulfaguanidine | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 122.05999999999999 Ų | RDKit |
| 122.06 Ų | RDKit | |
| LogP | -0.5594299999999999 | RDKit |
| -0.5594 | RDKit | |
| Molar Refractivity | 53.09 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 214.05244656 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
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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.
External Resources
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MW = 214.25 g/mol. Edit any field — others recompute live.
