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Molecule
Sulfacetamide
CAS: 144-80-9 · C8H10N2O3S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 144-80-9
- Molecular Formula
- C8H10N2O3S
- Molecular Mass
- 214.25 g/mol
Identifiers
CAS Registry Number
144-80-9
SMILES
CC(O)=NS(=O)(=O)c1ccc(N)cc1
InChI Key
SKIVFJLNDNKQPD-UHFFFAOYSA-N
InChI
InChI=1S/C8H10N2O3S/c1-6(11)10-14(12,13)8-4-2-7(9)3-5-8/h2-5H,9H2,1H3,(H,10,11)
Names and Synonyms
- Sulfacetamide Common Name
- Acetamide, N-[(4-aminophenyl)sulfonyl]- Synonym
- Acetamide, N-sulfanilyl- Synonym
- N-[(4-Aminophenyl)sulfonyl]acetamide Synonym
- Acetocid Synonym
- Albamine Synonym
- Albucid Synonym
- p-Aminobenzenesulfonacetamide Synonym
- Steramide Synonym
- Sulamyd Synonym
- Sulfacet Synonym
- Sulfacetamide Synonym
- Sulfacyl Synonym
- N-Sulfanilylacetamide Synonym
- Urosulfon Synonym
- Alesten Synonym
- Formosulfacetamide Synonym
- Region Synonym
- Sulfacetimide Synonym
- N-(4-Aminobenzenesulfonyl)acetamide Synonym
- A 500 Synonym
- N1-Acetylsulfanilamide Synonym
- Sulphacetamide Synonym
- Acetosulfamine Synonym
- N′-Acetylsulfanilamide Synonym
- N-Acetylsulfanilamide Synonym
- Acetosulfamin Synonym
- Sulphasil Synonym
- N-(p-Aminophenylsulfonyl)acetamide Synonym
- 4-(Acetylaminosulfonyl)aniline Synonym
- Ocusol Synonym
- NSC 63871 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 214.25 g/mol | CAS Common Chemistry |
| 214.246 g/mol | RDKit | |
| 214.239 g/mol | chempirical lib | |
| Density | 1.42 g/cm³ | CAS Common Chemistry |
| 1.416 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | O=C(NS(=O)(=O)C1=CC=C(N)C=C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H10N2O3S/c1-6(11)10-14(12,13)8-4-2-7(9)3-5-8/h2-5H,9H2,1H3,(H,10,11) | CAS Common Chemistry |
| InChI Key | InChIKey=SKIVFJLNDNKQPD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 183 °C | CAS Common Chemistry |
| Name | Sulfacetamide | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 92.75 Ų | RDKit |
| LogP | 0.9339000000000002 | RDKit |
| 0.9339 | RDKit | |
| Molar Refractivity | 53.77800000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.125 | RDKit |
| 0.12 | chempirical lib | |
| Exact Mass | 214.04121318 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 214.25 g/mol; density = 1.420 g/mL. Edit any field — others recompute live.
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