2-((4,6-二甲基-2-嘧啶基)硫基)乙酸
TL;DR: 2-((4,6-二甲基-2-嘧啶基)硫基)乙酸 (CAS 55749-30-9) is a chemical compound with molecular formula C8H10N2O2S and molecular weight 198.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-((4,6-二甲基-2-嘧啶基)硫基)乙酸
2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetic acid
Also Known As: 2-((4,6-Dimethylpyrimidin-2-yl)thio)acetic acid, (4,6-Dimethyl-pyrimidin-2-ylsulfanyl)-acetic acid, ACETIC ACID, (4,6-DIMETHYLPYRIMIDIN-2-YLTHIO)-, 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetic acid, Hexafluoro-2-methylisopropanol
| Molecular Formula | C8H10N2O2S |
|---|---|
| Molecular Weight | 198.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 88.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.0463 |
| Heavy Atoms | 13 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 55749-30-9 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SCC(=O)O)C |
| InChIKey | ZISGTWODACVVLQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-((4,6-二甲基-2-嘧啶基)硫基)乙酸 (CAS 55749-30-9), with molecular formula C8H10N2O2S and molecular weight 198.05 g/mol. IUPAC: 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetic acid.
Chemical Property Profile of 2-((4,6-二甲基-2-嘧啶基)硫基)乙酸
Property Insights of 2-((4,6-二甲基-2-嘧啶基)硫基)乙酸
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4,6-二甲基-2-嘧啶基)硫基)乙酸. The TPSA of 88.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4,6-二甲基-2-嘧啶基)硫基)乙酸. Following Lipinski's Rule of Five, 2-((4,6-二甲基-2-嘧啶基)硫基)乙酸 has 1 hydrogen bond donor(s) and 5 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-((4,6-二甲基-2-嘧啶基)硫基)乙酸?
The CAS number of 2-((4,6-二甲基-2-嘧啶基)硫基)乙酸 is 55749-30-9.
What is the molecular formula of 2-((4,6-二甲基-2-嘧啶基)硫基)乙酸?
The molecular formula of 2-((4,6-二甲基-2-嘧啶基)硫基)乙酸 is C8H10N2O2S.
What is the molecular weight of 2-((4,6-二甲基-2-嘧啶基)硫基)乙酸?
The molecular weight of 2-((4,6-二甲基-2-嘧啶基)硫基)乙酸 is 198.05 g/mol.
Where can I buy 2-((4,6-二甲基-2-嘧啶基)硫基)乙酸?
You can request a quote for 2-((4,6-二甲基-2-嘧啶基)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-((4,6-二甲基-2-嘧啶基)硫基)乙酸?
Yes, KEHONG BIO provides custom synthesis services for 2-((4,6-二甲基-2-嘧啶基)硫基)乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.