2-((3,4-Difluorophenyl)sulfanyl)acetic acid
TL;DR: 2-((3,4-Difluorophenyl)sulfanyl)acetic acid (CAS 1049693-70-0) is a chemical compound with molecular formula C8H6F2O2S and molecular weight 204.00566 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3,4-difluorophenyl)sulfanylacetic acid
Also Known As: [(3,4-difluorophenyl)thio]acetic acid|2-[(3,4-difluorophenyl)sulfanyl]acetic acid|2-(3,4-difluorophenyl)sulfanylacetic Acid|3,4-Difluoro-phenylthioacetic acid|2-[(3,4-Difluorophenyl)thio]acetic Acid|2-((3,4-Difluorophenyl)sulfanyl)acetic acid|AB01330055-02|872-725-8|MFCD07339314|SY152051|EN300-14239|G36608|F652522|Z92655191
Technical Specifications
| Molecular Formula | C8H6F2O2S |
| Molecular Weight | 204.00566 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 204.00566 Da |
| Heavy Atoms | 13 |
| Complexity | 189.0 |
| SMILES | C1=CC(=C(C=C1SCC(=O)O)F)F |
| InChIKey | CCXYYCKQHVEJES-UHFFFAOYSA-N |
Chemical Property Profile of 2-((3,4-Difluorophenyl)sulfanyl)acetic acid
Property Insights of 2-((3,4-Difluorophenyl)sulfanyl)acetic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((3,4-Difluorophenyl)sulfanyl)acetic acid. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((3,4-Difluorophenyl)sulfanyl)acetic acid. Following Lipinski's Rule of Five, 2-((3,4-Difluorophenyl)sulfanyl)acetic 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 2-((3,4-Difluorophenyl)sulfanyl)acetic acid?
The CAS number of 2-((3,4-Difluorophenyl)sulfanyl)acetic acid is 1049693-70-0.
What is the molecular formula of 2-((3,4-Difluorophenyl)sulfanyl)acetic acid?
The molecular formula of 2-((3,4-Difluorophenyl)sulfanyl)acetic acid is C8H6F2O2S.
What is the molecular weight of 2-((3,4-Difluorophenyl)sulfanyl)acetic acid?
The molecular weight of 2-((3,4-Difluorophenyl)sulfanyl)acetic acid is 204.00566 g/mol.
Where can I buy 2-((3,4-Difluorophenyl)sulfanyl)acetic acid?
You can request a quote for 2-((3,4-Difluorophenyl)sulfanyl)acetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-((3,4-Difluorophenyl)sulfanyl)acetic acid?
Yes, CoreyChem provides custom synthesis services for 2-((3,4-Difluorophenyl)sulfanyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.