![[(3,5-Dimethylbenzyl)thio]acetic acid structure](/static/products/4256/425607-97-2.webp)
[(3,5-Dimethylbenzyl)thio]acetic acid
TL;DR: [(3,5-Dimethylbenzyl)thio]acetic acid (CAS 425607-97-2) is a chemical compound with molecular formula C11H14O2S and molecular weight 210.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,5-dimethylphenyl)methylsulfanyl]acetic acid
Also Known As: [(3,5-dimethylbenzyl)thio]acetic acid|CBMicro_004570|2-((3,5-Dimethylbenzyl)thio)acetic acid|[(3,5-Dimethylbenzyl)thio]aceticacid|2-[(3,5-dimethylphenyl)methylsulfanyl]acetic acid|2-((3,5-Dimethylbenzyl)thio)aceticacid|BIM-0004627.P001|2-{[(3,5-dimethylphenyl)methyl]sulfanyl}acetic acid|((3,5-DIMETHYLBENZYL)THIO)ACETIC ACID|W-9242|[(3,5-dimethylbenzyl)thio]acetic acid(SALTDATA: FREE)|{[(3,5-DIMETHYLPHENYL)METHYL]SULFANYL}ACETIC ACID|2-[3-CYANO-4-(4-FLUOROPHENYL)-5,5-DIMETHYL-5H-FURAN-2-YLIDENE]MALONONITRILE
| Molecular Formula | C11H14O2S |
|---|---|
| Molecular Weight | 210.07 g/mol |
| LogP | 2.62124 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 210.07146 |
| Heavy Atoms | 14 |
| Complexity | 313.80945 |
Chemical Identifiers
| CAS Number | 425607-97-2 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)CSCC(=O)O)C |
Product Overview
[(3,5-Dimethylbenzyl)thio]acetic acid (CAS 425607-97-2), with molecular formula C11H14O2S and molecular weight 210.07 g/mol. IUPAC: 2-[(3,5-dimethylphenyl)methylsulfanyl]acetic acid.
Chemical Property Profile of [(3,5-Dimethylbenzyl)thio]acetic acid
Property Insights of [(3,5-Dimethylbenzyl)thio]acetic acid
The XLogP value of 2.62124 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(3,5-Dimethylbenzyl)thio]acetic acid. With a topological polar surface area (TPSA) of 37.3 Ų, [(3,5-Dimethylbenzyl)thio]acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(3,5-Dimethylbenzyl)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 [(3,5-Dimethylbenzyl)thio]acetic acid?
The CAS number of [(3,5-Dimethylbenzyl)thio]acetic acid is 425607-97-2.
What is the molecular formula of [(3,5-Dimethylbenzyl)thio]acetic acid?
The molecular formula of [(3,5-Dimethylbenzyl)thio]acetic acid is C11H14O2S.
What is the molecular weight of [(3,5-Dimethylbenzyl)thio]acetic acid?
The molecular weight of [(3,5-Dimethylbenzyl)thio]acetic acid is 210.07 g/mol.
Where can I buy [(3,5-Dimethylbenzyl)thio]acetic acid?
You can request a quote for [(3,5-Dimethylbenzyl)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 [(3,5-Dimethylbenzyl)thio]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [(3,5-Dimethylbenzyl)thio]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.