![{[(4-Methylphenyl)methyl]sulfanyl}acetate structure](/static/products/5851/58511-20-9.webp)
{[(4-Methylphenyl)methyl]sulfanyl}acetate
TL;DR: {[(4-Methylphenyl)methyl]sulfanyl}acetate (CAS 58511-20-9) is a chemical compound with molecular formula C10H11O2S- and molecular weight 195.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methylphenyl)methylsulfanyl]acetate
Also Known As: {[(4-Methylphenyl)methyl]sulfanyl}acetate, 2-[(4-methylphenyl)methylsulfanyl]acetate
| Molecular Formula | C10H11O2S- |
|---|---|
| Molecular Weight | 195.05 g/mol |
| LogP | 0.97812 |
| Topological Polar Surface Area | 40.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 195.04797 |
| Heavy Atoms | 13 |
| Complexity | 279.48114 |
Chemical Identifiers
| CAS Number | 58511-20-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CSCC(=O)[O-] |
Product Overview
{[(4-Methylphenyl)methyl]sulfanyl}acetate (CAS 58511-20-9), with molecular formula C10H11O2S- and molecular weight 195.05 g/mol. IUPAC: 2-[(4-methylphenyl)methylsulfanyl]acetate.
Chemical Property Profile of {[(4-Methylphenyl)methyl]sulfanyl}acetate
Property Insights of {[(4-Methylphenyl)methyl]sulfanyl}acetate
The XLogP value of 0.97812 suggests moderate lipophilicity, balancing water solubility and membrane permeability for {[(4-Methylphenyl)methyl]sulfanyl}acetate. With a topological polar surface area (TPSA) of 40.13 Ų, {[(4-Methylphenyl)methyl]sulfanyl}acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, {[(4-Methylphenyl)methyl]sulfanyl}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 {[(4-Methylphenyl)methyl]sulfanyl}acetate?
The CAS number of {[(4-Methylphenyl)methyl]sulfanyl}acetate is 58511-20-9.
What is the molecular formula of {[(4-Methylphenyl)methyl]sulfanyl}acetate?
The molecular formula of {[(4-Methylphenyl)methyl]sulfanyl}acetate is C10H11O2S-.
What is the molecular weight of {[(4-Methylphenyl)methyl]sulfanyl}acetate?
The molecular weight of {[(4-Methylphenyl)methyl]sulfanyl}acetate is 195.05 g/mol.
Where can I buy {[(4-Methylphenyl)methyl]sulfanyl}acetate?
You can request a quote for {[(4-Methylphenyl)methyl]sulfanyl}acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {[(4-Methylphenyl)methyl]sulfanyl}acetate?
Yes, KEHONG BIO provides custom synthesis services for {[(4-Methylphenyl)methyl]sulfanyl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.