4-(Methoxycarbonyl)benzene-1-sulfinic acid
TL;DR: 4-(Methoxycarbonyl)benzene-1-sulfinic acid (CAS 110955-49-2) is a chemical compound with molecular formula C8H8O4S and molecular weight 200.01433 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methoxycarbonylbenzenesulfinic acid
Also Known As: 4-(Methoxycarbonyl)benzene-1-sulfinic acid, methyl 4-sulfinobenzoate, 4-methoxycarbonylbenzenesulfinic Acid, 4-(methoxycarbonyl)benzenesulfinic acid, 4-(Methoxycarbonyl)benzene-1-sulfinicacid
Technical Specifications
| Molecular Formula | C8H8O4S |
| Molecular Weight | 200.01433 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 82.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 200.01433 Da |
| Heavy Atoms | 13 |
| Complexity | 208.0 |
| SMILES | COC(=O)C1=CC=C(C=C1)S(=O)O |
| InChIKey | LSRBTEQHXLIBFK-UHFFFAOYSA-N |
Chemical Property Profile of 4-(Methoxycarbonyl)benzene-1-sulfinic acid
Property Insights of 4-(Methoxycarbonyl)benzene-1-sulfinic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Methoxycarbonyl)benzene-1-sulfinic acid. The TPSA of 82.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Methoxycarbonyl)benzene-1-sulfinic acid. Following Lipinski's Rule of Five, 4-(Methoxycarbonyl)benzene-1-sulfinic acid has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-(Methoxycarbonyl)benzene-1-sulfinic acid?
The CAS number of 4-(Methoxycarbonyl)benzene-1-sulfinic acid is 110955-49-2.
What is the molecular formula of 4-(Methoxycarbonyl)benzene-1-sulfinic acid?
The molecular formula of 4-(Methoxycarbonyl)benzene-1-sulfinic acid is C8H8O4S.
What is the molecular weight of 4-(Methoxycarbonyl)benzene-1-sulfinic acid?
The molecular weight of 4-(Methoxycarbonyl)benzene-1-sulfinic acid is 200.01433 g/mol.
Where can I buy 4-(Methoxycarbonyl)benzene-1-sulfinic acid?
You can request a quote for 4-(Methoxycarbonyl)benzene-1-sulfinic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(Methoxycarbonyl)benzene-1-sulfinic acid?
Yes, CoreyChem provides custom synthesis services for 4-(Methoxycarbonyl)benzene-1-sulfinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.