3-(Ethylthio)-5-nitrobenzoic acid
3-ethylsulfanyl-5-nitrobenzoic acid
Also Known As: 3-(ethylthio)-5-nitrobenzoic acid|3-(ethylsulfanyl)-5-nitrobenzoic acid|3-ethylsulfanyl-5-nitrobenzoic acid
CAS: 501359-46-2
| Molecular Formula | C9H9NO4S |
|---|---|
| Molecular Weight | 227.02522 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 227.02522 |
| Monoisotopic Mass | 227.02522 |
| Heavy Atoms | 15 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 501359-46-2 |
|---|---|
| SMILES | CCSC1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O |
| InChIKey | DHZBLOBKBANTBL-UHFFFAOYSA-N |
Product Overview
3-(Ethylthio)-5-nitrobenzoic acid (CAS 501359-46-2), with molecular formula C9H9NO4S and molecular weight 227.02522 g/mol. IUPAC: 3-ethylsulfanyl-5-nitrobenzoic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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