![4-[(Methylsulfanyl)methyl]benzoic acid structure](/static/products/6700/67003-48-9.webp)
4-[(Methylsulfanyl)methyl]benzoic acid
TL;DR: 4-[(Methylsulfanyl)methyl]benzoic acid (CAS 67003-48-9) 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.
4-(methylsulfanylmethyl)benzoic acid
Also Known As: 4-[(Methylsulfanyl)methyl]benzoic acid, 4-((Methylthio)methyl)benzoic acid, 4-[(methylthio)methyl]benzoic acid, 4-(methylsulfanylmethyl)benzoic Acid, 4-[ methyl]benzoicacid
| 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 | 266.36197 |
Chemical Identifiers
| CAS Number | 67003-48-9 |
|---|---|
| SMILES | CSCC1=CC=C(C=C1)C(=O)O |
Product Overview
4-[(Methylsulfanyl)methyl]benzoic acid (CAS 67003-48-9), with molecular formula C9H10O2S and molecular weight 182.04 g/mol. IUPAC: 4-(methylsulfanylmethyl)benzoic acid.
Chemical Property Profile of 4-[(Methylsulfanyl)methyl]benzoic acid
Property Insights of 4-[(Methylsulfanyl)methyl]benzoic acid
The XLogP value of 2.2478 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(Methylsulfanyl)methyl]benzoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 4-[(Methylsulfanyl)methyl]benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(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 4-[(Methylsulfanyl)methyl]benzoic acid?
The CAS number of 4-[(Methylsulfanyl)methyl]benzoic acid is 67003-48-9.
What is the molecular formula of 4-[(Methylsulfanyl)methyl]benzoic acid?
The molecular formula of 4-[(Methylsulfanyl)methyl]benzoic acid is C9H10O2S.
What is the molecular weight of 4-[(Methylsulfanyl)methyl]benzoic acid?
The molecular weight of 4-[(Methylsulfanyl)methyl]benzoic acid is 182.04 g/mol.
Where can I buy 4-[(Methylsulfanyl)methyl]benzoic acid?
You can request a quote for 4-[(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 4-[(Methylsulfanyl)methyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(Methylsulfanyl)methyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.