![[(2-Methylbenzyl)thio]acetic acid structure](/static/products/1892/18926-49-3.webp)
[(2-Methylbenzyl)thio]acetic acid
TL;DR: [(2-Methylbenzyl)thio]acetic acid (CAS 18926-49-3) is a chemical compound with molecular formula C10H12O2S and molecular weight 196.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-methylphenyl)methylsulfanyl]acetic acid
Also Known As: [(2-methylbenzyl)thio]acetic acid|2-((2-Methylbenzyl)thio)acetic acid|2-(o-Tolylmethylsulfanyl)acetic acid|[(2-methylbenzyl)sulfanyl]acetic acid|[(2-Methylbenzyl)thio]aceticacid|2-[(2-methylphenyl)methylsulfanyl]acetic Acid|CHEMBRDG-BB 6187574|(2-methylbenzyl)sulfanylacetic Acid|2-{[(2-methylphenyl)methyl]sulfanyl}acetic acid|2-((2-Methylbenzyl)thio)aceticacid|SP4199|NCGC00327536-01|2-[(2-methylphenyl)methylthio]acetic acid|Y-0698|{[(2-METHYLPHENYL)METHYL]SULFANYL}ACETIC ACID|AB01322680-02
| Molecular Formula | C10H12O2S |
|---|---|
| Molecular Weight | 196.06 g/mol |
| LogP | 2.31282 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 196.0558 |
| Heavy Atoms | 13 |
| Complexity | 296.73114 |
Chemical Identifiers
| CAS Number | 18926-49-3 |
|---|---|
| SMILES | CC1=CC=CC=C1CSCC(=O)O |
Product Overview
[(2-Methylbenzyl)thio]acetic acid (CAS 18926-49-3), with molecular formula C10H12O2S and molecular weight 196.06 g/mol. IUPAC: 2-[(2-methylphenyl)methylsulfanyl]acetic acid.
Chemical Property Profile of [(2-Methylbenzyl)thio]acetic acid
Property Insights of [(2-Methylbenzyl)thio]acetic acid
The XLogP value of 2.31282 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(2-Methylbenzyl)thio]acetic acid. With a topological polar surface area (TPSA) of 37.3 Ų, [(2-Methylbenzyl)thio]acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(2-Methylbenzyl)thio]acetic 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 [(2-Methylbenzyl)thio]acetic acid?
The CAS number of [(2-Methylbenzyl)thio]acetic acid is 18926-49-3.
What is the molecular formula of [(2-Methylbenzyl)thio]acetic acid?
The molecular formula of [(2-Methylbenzyl)thio]acetic acid is C10H12O2S.
What is the molecular weight of [(2-Methylbenzyl)thio]acetic acid?
The molecular weight of [(2-Methylbenzyl)thio]acetic acid is 196.06 g/mol.
Where can I buy [(2-Methylbenzyl)thio]acetic acid?
You can request a quote for [(2-Methylbenzyl)thio]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(2-Methylbenzyl)thio]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [(2-Methylbenzyl)thio]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.