![3-{4-[(4-Methylphenyl)sulfanyl]-3-nitrophenyl}prop-2-enoic acid structure](/static/products/1752/175278-50-9.webp)
3-{4-[(4-Methylphenyl)sulfanyl]-3-nitrophenyl}prop-2-enoic acid
3-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]prop-2-enoic acid
Also Known As: Benactyzinehydrochloride|3-(3-Nitro-4-(p-tolylthio)phenyl)acrylic acid|3-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]prop-2-enoic acid|2-Propenoic acid,3-[4-[(4-methylphenyl)thio]-3-nitrophenyl]-|3-{4-[(4-methylphenyl)thio]-3-nitrophenyl}acrylic acid|3-{4-[(4-methylphenyl)sulfanyl]-3-nitrophenyl}prop-2-enoic acid|(E)-3-(3-nitro-4-(p-tolylthio)phenyl)acrylic acid|3-[4-(4-methylphenylthio)-3-nitrophenyl]acrylic acid|3-[3-nitro-4-(p-tolylsulfanyl)phenyl]prop-2-enoic acid|3-[4-[(4-methylphenyl)thio]-3-nitrophenyl]acrylic acid|2-Propenoic acid,3-[4-[(4-methylphenyl)thio]-3-nitrophenyl]|(E)-3-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]prop-2-enoic acid|3-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]prop-2-enoic Acid
| Molecular Formula | C16H13NO4S |
|---|---|
| Molecular Weight | 315.05652 g/mol |
| LogP | 4.15222 |
| Topological Polar Surface Area | 80.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 315.05652 |
| Monoisotopic Mass | 315.05652 |
| Heavy Atoms | 22 |
| Complexity | 738.3111 |
Chemical Identifiers
| CAS Number | 175278-50-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C=CC(=O)O)[N+](=O)[O-] |
Product Overview
3-{4-[(4-Methylphenyl)sulfanyl]-3-nitrophenyl}prop-2-enoic acid (CAS 175278-50-9), with molecular formula C16H13NO4S and molecular weight 315.05652 g/mol. IUPAC: 3-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]prop-2-enoic acid.