2-((2,5-二甲基苯基)硫基)乙酸
TL;DR: 2-((2,5-二甲基苯基)硫基)乙酸 (CAS 15310-87-9) 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-((2,5-二甲基苯基)硫基)乙酸
2-(2,5-dimethylphenyl)sulfanylacetic acid
Also Known As: (2,5-Dimethyl-phenylsulfanyl)-acetic acid, 2-[(2,5-dimethylphenyl)sulfanyl]acetic acid, 2-(2,5-dimethylphenyl)sulfanylacetic acid, (2,5-Xylylthio)acetic acid, IFLab1_000165
| Molecular Formula | C10H12O2S |
|---|---|
| Molecular Weight | 196.06 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.0558 |
| Heavy Atoms | 13 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 15310-87-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)SCC(=O)O |
| InChIKey | PTOYIPIESDHKSH-UHFFFAOYSA-N |
Product Overview
2-((2,5-二甲基苯基)硫基)乙酸 (CAS 15310-87-9), with molecular formula C10H12O2S and molecular weight 196.06 g/mol. IUPAC: 2-(2,5-dimethylphenyl)sulfanylacetic acid.
Chemical Property Profile of 2-((2,5-二甲基苯基)硫基)乙酸
Property Insights of 2-((2,5-二甲基苯基)硫基)乙酸
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((2,5-二甲基苯基)硫基)乙酸. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2,5-二甲基苯基)硫基)乙酸. Following Lipinski's Rule of Five, 2-((2,5-二甲基苯基)硫基)乙酸 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 2-((2,5-二甲基苯基)硫基)乙酸?
The CAS number of 2-((2,5-二甲基苯基)硫基)乙酸 is 15310-87-9.
What is the molecular formula of 2-((2,5-二甲基苯基)硫基)乙酸?
The molecular formula of 2-((2,5-二甲基苯基)硫基)乙酸 is C10H12O2S.
What is the molecular weight of 2-((2,5-二甲基苯基)硫基)乙酸?
The molecular weight of 2-((2,5-二甲基苯基)硫基)乙酸 is 196.06 g/mol.
Where can I buy 2-((2,5-二甲基苯基)硫基)乙酸?
You can request a quote for 2-((2,5-二甲基苯基)硫基)乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2,5-二甲基苯基)硫基)乙酸?
Yes, KEHONG BIO provides custom synthesis services for 2-((2,5-二甲基苯基)硫基)乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.