5-(Methylthio)-o-anisic acid
TL;DR: 5-(Methylthio)-o-anisic acid (CAS 61694-97-1) is a chemical compound with molecular formula C9H10O3S and molecular weight 198.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxy-5-methylsulfanylbenzoic acid
Also Known As: 5-(Methylthio)-o-anisic acid, 2-methoxy-5-(methylthio)benzoic acid, 2-methoxy-5-methylsulfanylbenzoic acid, EINECS 262-910-6, 2-methoxy-5-methylsulfanyl-benzoic acid
| Molecular Formula | C9H10O3S |
|---|---|
| Molecular Weight | 198.04 g/mol |
| LogP | 2.1153 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.03506 |
| Heavy Atoms | 13 |
| Complexity | 322.6359 |
Chemical Identifiers
| CAS Number | 61694-97-1 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)SC)C(=O)O |
Product Overview
5-(Methylthio)-o-anisic acid (CAS 61694-97-1), with molecular formula C9H10O3S and molecular weight 198.04 g/mol. IUPAC: 2-methoxy-5-methylsulfanylbenzoic acid.
Chemical Property Profile of 5-(Methylthio)-o-anisic acid
Property Insights of 5-(Methylthio)-o-anisic acid
The XLogP value of 2.1153 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Methylthio)-o-anisic acid. With a topological polar surface area (TPSA) of 46.53 Ų, 5-(Methylthio)-o-anisic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Methylthio)-o-anisic 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 5-(Methylthio)-o-anisic acid?
The CAS number of 5-(Methylthio)-o-anisic acid is 61694-97-1.
What is the molecular formula of 5-(Methylthio)-o-anisic acid?
The molecular formula of 5-(Methylthio)-o-anisic acid is C9H10O3S.
What is the molecular weight of 5-(Methylthio)-o-anisic acid?
The molecular weight of 5-(Methylthio)-o-anisic acid is 198.04 g/mol.
Where can I buy 5-(Methylthio)-o-anisic acid?
You can request a quote for 5-(Methylthio)-o-anisic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Methylthio)-o-anisic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(Methylthio)-o-anisic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.