![[(4-Methoxy-3-methylbenzyl)sulfanyl]acetic acid structure](/static/products/919/91971-05-0.png)
[(4-Methoxy-3-methylbenzyl)sulfanyl]acetic acid
TL;DR: [(4-Methoxy-3-methylbenzyl)sulfanyl]acetic acid (CAS 91971-05-0) is a chemical compound with molecular formula C11H14O3S and molecular weight 226.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methoxy-3-methylphenyl)methylsulfanyl]acetic acid
Also Known As: 2-((4-methoxy-3-methylbenzyl)thio)acetic acid, [(4-methoxy-3-methylbenzyl)sulfanyl]acetic acid, 2-[(4-methoxy-3-methylphenyl)methylsulfanyl]acetic acid, 2-[(4-methoxy-3-methyl-phenyl)methylsulfanyl]acetic Acid
| Molecular Formula | C11H14O3S |
|---|---|
| Molecular Weight | 226.07 g/mol |
| LogP | 2.32142 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 226.06636 |
| Heavy Atoms | 15 |
| Complexity | 349.6863 |
Chemical Identifiers
| CAS Number | 91971-05-0 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)CSCC(=O)O)OC |
Product Overview
[(4-Methoxy-3-methylbenzyl)sulfanyl]acetic acid (CAS 91971-05-0), with molecular formula C11H14O3S and molecular weight 226.07 g/mol. IUPAC: 2-[(4-methoxy-3-methylphenyl)methylsulfanyl]acetic acid.
Chemical Property Profile of [(4-Methoxy-3-methylbenzyl)sulfanyl]acetic acid
Property Insights of [(4-Methoxy-3-methylbenzyl)sulfanyl]acetic acid
The XLogP value of 2.32142 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(4-Methoxy-3-methylbenzyl)sulfanyl]acetic acid. With a topological polar surface area (TPSA) of 46.53 Ų, [(4-Methoxy-3-methylbenzyl)sulfanyl]acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(4-Methoxy-3-methylbenzyl)sulfanyl]acetic acid has 1 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-Methoxy-3-methylbenzyl)sulfanyl]acetic acid?
The CAS number of [(4-Methoxy-3-methylbenzyl)sulfanyl]acetic acid is 91971-05-0.
What is the molecular formula of [(4-Methoxy-3-methylbenzyl)sulfanyl]acetic acid?
The molecular formula of [(4-Methoxy-3-methylbenzyl)sulfanyl]acetic acid is C11H14O3S.
What is the molecular weight of [(4-Methoxy-3-methylbenzyl)sulfanyl]acetic acid?
The molecular weight of [(4-Methoxy-3-methylbenzyl)sulfanyl]acetic acid is 226.07 g/mol.
Where can I buy [(4-Methoxy-3-methylbenzyl)sulfanyl]acetic acid?
You can request a quote for [(4-Methoxy-3-methylbenzyl)sulfanyl]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(4-Methoxy-3-methylbenzyl)sulfanyl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [(4-Methoxy-3-methylbenzyl)sulfanyl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.