((4-Methylpyrimidin-2-yl)thio)acetic acid
TL;DR: ((4-Methylpyrimidin-2-yl)thio)acetic acid (CAS 46118-95-0) is a chemical compound with molecular formula C7H8N2O2S and molecular weight 184.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylpyrimidin-2-yl)sulfanylacetic acid
Also Known As: 2-(Carboxymethylthio)-4-methylpyrimidine, 2-((4-methylpyrimidin-2-yl)thio)acetic acid, 2-Carboxymethylthio-4-methylpyrimidine, [(4-methylpyrimidin-2-yl)sulfanyl]acetic acid, ((4-Methylpyrimidin-2-yl)thio)acetic acid
| Molecular Formula | C7H8N2O2S |
|---|---|
| Molecular Weight | 184.03 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 88.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 184.03065 |
| Heavy Atoms | 12 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 46118-95-0 |
|---|---|
| SMILES | CC1=NC(=NC=C1)SCC(=O)O |
| InChIKey | CGMJQRAIQBSTCC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
((4-Methylpyrimidin-2-yl)thio)acetic acid (CAS 46118-95-0), with molecular formula C7H8N2O2S and molecular weight 184.03 g/mol. IUPAC: 2-(4-methylpyrimidin-2-yl)sulfanylacetic acid.
Chemical Property Profile of ((4-Methylpyrimidin-2-yl)thio)acetic acid
Property Insights of ((4-Methylpyrimidin-2-yl)thio)acetic acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ((4-Methylpyrimidin-2-yl)thio)acetic acid. The TPSA of 88.4 Ų falls within the moderate polarity range, balancing permeability and solubility for ((4-Methylpyrimidin-2-yl)thio)acetic acid. Following Lipinski's Rule of Five, ((4-Methylpyrimidin-2-yl)thio)acetic acid 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 ((4-Methylpyrimidin-2-yl)thio)acetic acid?
The CAS number of ((4-Methylpyrimidin-2-yl)thio)acetic acid is 46118-95-0.
What is the molecular formula of ((4-Methylpyrimidin-2-yl)thio)acetic acid?
The molecular formula of ((4-Methylpyrimidin-2-yl)thio)acetic acid is C7H8N2O2S.
What is the molecular weight of ((4-Methylpyrimidin-2-yl)thio)acetic acid?
The molecular weight of ((4-Methylpyrimidin-2-yl)thio)acetic acid is 184.03 g/mol.
Where can I buy ((4-Methylpyrimidin-2-yl)thio)acetic acid?
You can request a quote for ((4-Methylpyrimidin-2-yl)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 ((4-Methylpyrimidin-2-yl)thio)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for ((4-Methylpyrimidin-2-yl)thio)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.