![4-[(4-Methylphenyl)sulfanyl]-3-nitrobenzoic acid structure](/static/products/2199/219929-89-2.webp)
4-[(4-Methylphenyl)sulfanyl]-3-nitrobenzoic acid
4-(4-methylphenyl)sulfanyl-3-nitrobenzoic acid
Also Known As: 4-[(4-Methylphenyl)thio]-3-nitrobenzoic acid|Maybridge1_001490|3-Nitro-4-(p-tolylthio)benzoic acid|Oprea1_664523|4-[(4-methylphenyl)sulfanyl]-3-nitrobenzoic acid|HMS545L16|4-(4-methylphenyl)sulfanyl-3-nitrobenzoic acid|KS-00001S2Z|3-Nitro-4-(p-tolylthio)benzoicacid|Benzoic acid,4-[(4-methylphenyl)thio]-3-nitro-|4-[ THIO]-3-NITROBENZOICACID|3-nitro-4-(p-tolylsulfanyl)benzoic acid|11N-656S|4-[(4-methylphenyl)sulfanyl]-3-nitrobenzenecarboxylic acid|4-((4-methylphenyl)sulfanyl)-3-nitrobenzoic acid|I14-61445|4-(4-Methylphenyl)sulfanyl-3-nitrobenzenecarboxylic acid|985-375-7
| Molecular Formula | C14H11NO4S |
|---|---|
| Molecular Weight | 289.0409 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 289.0409 |
| Monoisotopic Mass | 289.0409 |
| Heavy Atoms | 20 |
| Complexity | 363.0 |
Chemical Identifiers
| CAS Number | 219929-89-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-] |
| InChIKey | XXUBZSQLPIRCFW-UHFFFAOYSA-N |
Product Overview
4-[(4-Methylphenyl)sulfanyl]-3-nitrobenzoic acid (CAS 219929-89-2), with molecular formula C14H11NO4S and molecular weight 289.0409 g/mol. IUPAC: 4-(4-methylphenyl)sulfanyl-3-nitrobenzoic acid.