2-(Methylsulfanyl)phenyl acetate
TL;DR: 2-(Methylsulfanyl)phenyl acetate (CAS 75744-85-3) is a chemical compound with molecular formula C9H10O2S and molecular weight 182.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methylsulfanylphenyl) acetate
Also Known As: 2-(methylsulfanyl)phenyl acetate, 2-acetoxyphenyl methyl sulfide, (2-methylsulfanylphenyl) acetate, APHS-d4, 2-(methylsulfanyl)phenylacetate
| Molecular Formula | C9H10O2S |
|---|---|
| Molecular Weight | 182.04 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.04015 |
| Heavy Atoms | 12 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 75744-85-3 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC=C1SC |
| InChIKey | AVQLMCFSPDGCKF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Methylsulfanyl)phenyl acetate (CAS 75744-85-3), with molecular formula C9H10O2S and molecular weight 182.04 g/mol. IUPAC: (2-methylsulfanylphenyl) acetate.
Chemical Property Profile of 2-(Methylsulfanyl)phenyl acetate
Property Insights of 2-(Methylsulfanyl)phenyl acetate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Methylsulfanyl)phenyl acetate. With a topological polar surface area (TPSA) of 51.6 Ų, 2-(Methylsulfanyl)phenyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Methylsulfanyl)phenyl acetate has 0 hydrogen bond donor(s) and 3 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-(Methylsulfanyl)phenyl acetate?
The CAS number of 2-(Methylsulfanyl)phenyl acetate is 75744-85-3.
What is the molecular formula of 2-(Methylsulfanyl)phenyl acetate?
The molecular formula of 2-(Methylsulfanyl)phenyl acetate is C9H10O2S.
What is the molecular weight of 2-(Methylsulfanyl)phenyl acetate?
The molecular weight of 2-(Methylsulfanyl)phenyl acetate is 182.04 g/mol.
Where can I buy 2-(Methylsulfanyl)phenyl acetate?
You can request a quote for 2-(Methylsulfanyl)phenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Methylsulfanyl)phenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Methylsulfanyl)phenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.