![3-[(Methylsulfanyl)methyl]benzoic acid structure](/static/products/5429/54293-10-6.webp)
3-[(Methylsulfanyl)methyl]benzoic acid
TL;DR: 3-[(Methylsulfanyl)methyl]benzoic acid (CAS 54293-10-6) 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.
3-(methylsulfanylmethyl)benzoic acid
Also Known As: 3-[(Methylsulfanyl)methyl]benzoic acid, 3-(methylsulfanylmethyl)benzoic Acid, 3-[(methylthio)methyl]benzoic acid, 3-(methylthiomethyl)benzoic acid, 3-(methylsulfanyl)methylbenzoic acid
| Molecular Formula | C9H10O2S |
|---|---|
| Molecular Weight | 182.04 g/mol |
| LogP | 2.2478 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.04015 |
| Heavy Atoms | 12 |
| Complexity | 283.61197 |
Chemical Identifiers
| CAS Number | 54293-10-6 |
|---|---|
| SMILES | CSCC1=CC(=CC=C1)C(=O)O |
Product Overview
3-[(Methylsulfanyl)methyl]benzoic acid (CAS 54293-10-6), with molecular formula C9H10O2S and molecular weight 182.04 g/mol. IUPAC: 3-(methylsulfanylmethyl)benzoic acid.
Chemical Property Profile of 3-[(Methylsulfanyl)methyl]benzoic acid
Property Insights of 3-[(Methylsulfanyl)methyl]benzoic acid
The XLogP value of 2.2478 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(Methylsulfanyl)methyl]benzoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-[(Methylsulfanyl)methyl]benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(Methylsulfanyl)methyl]benzoic acid has 1 hydrogen bond donor(s) and 2 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 3-[(Methylsulfanyl)methyl]benzoic acid?
The CAS number of 3-[(Methylsulfanyl)methyl]benzoic acid is 54293-10-6.
What is the molecular formula of 3-[(Methylsulfanyl)methyl]benzoic acid?
The molecular formula of 3-[(Methylsulfanyl)methyl]benzoic acid is C9H10O2S.
What is the molecular weight of 3-[(Methylsulfanyl)methyl]benzoic acid?
The molecular weight of 3-[(Methylsulfanyl)methyl]benzoic acid is 182.04 g/mol.
Where can I buy 3-[(Methylsulfanyl)methyl]benzoic acid?
You can request a quote for 3-[(Methylsulfanyl)methyl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(Methylsulfanyl)methyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(Methylsulfanyl)methyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.