4-(1,3-dithian-2-yl)benzoic Acid
TL;DR: 4-(1,3-dithian-2-yl)benzoic Acid (CAS 168165-88-6) is a chemical compound with molecular formula C11H12O2S2 and molecular weight 240.02788 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(1,3-dithian-2-yl)benzoic acid
Also Known As: 4-(1,3-dithian-2-yl)benzoic Acid, 4-(1,3-dithian-2-yl)benzoicAcid, 4-(1,3-Dithiane-2-yl)benzoic acid, J2.835.886E, AB00732867-01
Technical Specifications
| Molecular Formula | C11H12O2S2 |
| Molecular Weight | 240.02788 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 87.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 240.02788 Da |
| Heavy Atoms | 15 |
| Complexity | 219.0 |
| SMILES | C1CSC(SC1)C2=CC=C(C=C2)C(=O)O |
| InChIKey | CPSYTIVTRCUOTA-UHFFFAOYSA-N |
Chemical Property Profile of 4-(1,3-dithian-2-yl)benzoic Acid
Property Insights of 4-(1,3-dithian-2-yl)benzoic Acid
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1,3-dithian-2-yl)benzoic Acid. The TPSA of 87.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1,3-dithian-2-yl)benzoic Acid. Following Lipinski's Rule of Five, 4-(1,3-dithian-2-yl)benzoic Acid has 1 hydrogen bond donor(s) and 4 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-(1,3-dithian-2-yl)benzoic Acid?
The CAS number of 4-(1,3-dithian-2-yl)benzoic Acid is 168165-88-6.
What is the molecular formula of 4-(1,3-dithian-2-yl)benzoic Acid?
The molecular formula of 4-(1,3-dithian-2-yl)benzoic Acid is C11H12O2S2.
What is the molecular weight of 4-(1,3-dithian-2-yl)benzoic Acid?
The molecular weight of 4-(1,3-dithian-2-yl)benzoic Acid is 240.02788 g/mol.
Where can I buy 4-(1,3-dithian-2-yl)benzoic Acid?
You can request a quote for 4-(1,3-dithian-2-yl)benzoic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(1,3-dithian-2-yl)benzoic Acid?
Yes, CoreyChem provides custom synthesis services for 4-(1,3-dithian-2-yl)benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.