![3-[2-[(4-Methylphenyl)thio]-5-nitrophenyl]acrylic acid structure](/static/products/1752/175278-45-2.webp)
3-[2-[(4-Methylphenyl)thio]-5-nitrophenyl]acrylic acid
3-[2-(4-methylphenyl)sulfanyl-5-nitrophenyl]prop-2-enoic acid
Also Known As: 4-benzylsulfanyl-3-nitrobenzaldehyde|3-[2-(4-methylphenyl)sulfanyl-5-nitrophenyl]prop-2-enoic acid|3-{2-[(4-methylphenyl)thio]-5-nitrophenyl}acrylic acid|3-[2-[(4-METHYLPHENYL)THIO]-5-NITROPHENYL]ACRYLIC ACID|2-Propenoic acid,3-[2-[(4-methylphenyl)thio]-5-nitrophenyl]-|3-[2-[(4-METHYLPHENYL)THIO]-5-NITROPHENYL]ACRYLICACID|2-Propenoic acid, 3-[2-[(4-methylphenyl)thio]-5-nitrophenyl]-|3-[2-(4-methylphenyl)sulfanyl-5-nitro-phenyl]prop-2-enoic Acid|3-{2-[(4-methylphenyl)sulfanyl]-5-nitrophenyl}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 | 175278-45-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])C=CC(=O)O |
Product Overview
3-[2-[(4-Methylphenyl)thio]-5-nitrophenyl]acrylic acid (CAS 175278-45-2), with molecular formula C16H13NO4S and molecular weight 315.05652 g/mol. IUPAC: 3-[2-(4-methylphenyl)sulfanyl-5-nitrophenyl]prop-2-enoic acid.