2-(4-Methylphenyl)sulfanylethyl acetate
TL;DR: 2-(4-Methylphenyl)sulfanylethyl acetate (CAS 20965-31-5) is a chemical compound with molecular formula C11H14O2S and molecular weight 210.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylphenyl)sulfanylethyl acetate
Also Known As: 2-(4-methylphenyl)sulfanylethyl acetate, 2-[(4-Methylphenyl)sulfanyl]ethyl acetate
| Molecular Formula | C11H14O2S |
|---|---|
| Molecular Weight | 210.07 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 210.07146 |
| Heavy Atoms | 14 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 20965-31-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCCOC(=O)C |
| InChIKey | LJLZSQVDNBBDNV-UHFFFAOYSA-N |
Product Overview
2-(4-Methylphenyl)sulfanylethyl acetate (CAS 20965-31-5), with molecular formula C11H14O2S and molecular weight 210.07 g/mol. IUPAC: 2-(4-methylphenyl)sulfanylethyl acetate.
Chemical Property Profile of 2-(4-Methylphenyl)sulfanylethyl acetate
Property Insights of 2-(4-Methylphenyl)sulfanylethyl acetate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Methylphenyl)sulfanylethyl acetate. With a topological polar surface area (TPSA) of 51.6 Ų, 2-(4-Methylphenyl)sulfanylethyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Methylphenyl)sulfanylethyl 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-(4-Methylphenyl)sulfanylethyl acetate?
The CAS number of 2-(4-Methylphenyl)sulfanylethyl acetate is 20965-31-5.
What is the molecular formula of 2-(4-Methylphenyl)sulfanylethyl acetate?
The molecular formula of 2-(4-Methylphenyl)sulfanylethyl acetate is C11H14O2S.
What is the molecular weight of 2-(4-Methylphenyl)sulfanylethyl acetate?
The molecular weight of 2-(4-Methylphenyl)sulfanylethyl acetate is 210.07 g/mol.
Where can I buy 2-(4-Methylphenyl)sulfanylethyl acetate?
You can request a quote for 2-(4-Methylphenyl)sulfanylethyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Methylphenyl)sulfanylethyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methylphenyl)sulfanylethyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.