![2-[(Difluoromethyl)sulfanyl]benzoic acid structure](/static/products/796/79676-56-5.png)
2-[(Difluoromethyl)sulfanyl]benzoic acid
TL;DR: 2-[(Difluoromethyl)sulfanyl]benzoic acid (CAS 79676-56-5) is a chemical compound with molecular formula C8H6F2O2S and molecular weight 204.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(difluoromethylsulfanyl)benzoic acid
Also Known As: 2-(Difluoromethylthio)benzoic acid, 2-[(difluoromethyl)sulfanyl]benzoic acid, 2-(difluoromethylsulfanyl)benzoic Acid, 2- BENZOICACID, 2-((Difluoromethyl)thio)benzoic acid
| Molecular Formula | C8H6F2O2S |
|---|---|
| Molecular Weight | 204.01 g/mol |
| LogP | 2.6995 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 204.00566 |
| Heavy Atoms | 13 |
| Complexity | 314.76727 |
Chemical Identifiers
| CAS Number | 79676-56-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)SC(F)F |
Product Overview
2-[(Difluoromethyl)sulfanyl]benzoic acid (CAS 79676-56-5), with molecular formula C8H6F2O2S and molecular weight 204.01 g/mol. IUPAC: 2-(difluoromethylsulfanyl)benzoic acid.
Chemical Property Profile of 2-[(Difluoromethyl)sulfanyl]benzoic acid
Property Insights of 2-[(Difluoromethyl)sulfanyl]benzoic acid
The XLogP value of 2.6995 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(Difluoromethyl)sulfanyl]benzoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2-[(Difluoromethyl)sulfanyl]benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(Difluoromethyl)sulfanyl]benzoic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[(Difluoromethyl)sulfanyl]benzoic acid?
The CAS number of 2-[(Difluoromethyl)sulfanyl]benzoic acid is 79676-56-5.
What is the molecular formula of 2-[(Difluoromethyl)sulfanyl]benzoic acid?
The molecular formula of 2-[(Difluoromethyl)sulfanyl]benzoic acid is C8H6F2O2S.
What is the molecular weight of 2-[(Difluoromethyl)sulfanyl]benzoic acid?
The molecular weight of 2-[(Difluoromethyl)sulfanyl]benzoic acid is 204.01 g/mol.
Where can I buy 2-[(Difluoromethyl)sulfanyl]benzoic acid?
You can request a quote for 2-[(Difluoromethyl)sulfanyl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(Difluoromethyl)sulfanyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(Difluoromethyl)sulfanyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.