2-(Methylthio)pyrimidine-5-carboxylic acid
TL;DR: 2-(Methylthio)pyrimidine-5-carboxylic acid (CAS 33332-29-5) is a chemical compound with molecular formula C6H6N2O2S and molecular weight 170.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanylpyrimidine-5-carboxylic acid
Also Known As: 2-(methylthio)pyrimidine-5-carboxylic acid, 2-methylsulfanylpyrimidine-5-carboxylic acid, ASISCHEM A03574, 2-(methylsulfanyl)pyrimidine-5-carboxylic acid, Methyl-beta-D-galactopyranoside
| Molecular Formula | C6H6N2O2S |
|---|---|
| Molecular Weight | 170.01 g/mol |
| LogP | 0.8967 |
| Topological Polar Surface Area | 63.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.015 |
| Heavy Atoms | 11 |
| Complexity | 259.78973 |
Chemical Identifiers
| CAS Number | 33332-29-5 |
|---|---|
| SMILES | CSC1=NC=C(C=N1)C(=O)O |
Product Overview
2-(Methylthio)pyrimidine-5-carboxylic acid (CAS 33332-29-5), with molecular formula C6H6N2O2S and molecular weight 170.01 g/mol. IUPAC: 2-methylsulfanylpyrimidine-5-carboxylic acid.
Chemical Property Profile of 2-(Methylthio)pyrimidine-5-carboxylic acid
Property Insights of 2-(Methylthio)pyrimidine-5-carboxylic acid
The XLogP value of 0.8967 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Methylthio)pyrimidine-5-carboxylic acid. The TPSA of 63.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Methylthio)pyrimidine-5-carboxylic acid. Following Lipinski's Rule of Five, 2-(Methylthio)pyrimidine-5-carboxylic acid has 1 hydrogen bond donor(s) and 4 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-(Methylthio)pyrimidine-5-carboxylic acid?
The CAS number of 2-(Methylthio)pyrimidine-5-carboxylic acid is 33332-29-5.
What is the molecular formula of 2-(Methylthio)pyrimidine-5-carboxylic acid?
The molecular formula of 2-(Methylthio)pyrimidine-5-carboxylic acid is C6H6N2O2S.
What is the molecular weight of 2-(Methylthio)pyrimidine-5-carboxylic acid?
The molecular weight of 2-(Methylthio)pyrimidine-5-carboxylic acid is 170.01 g/mol.
Where can I buy 2-(Methylthio)pyrimidine-5-carboxylic acid?
You can request a quote for 2-(Methylthio)pyrimidine-5-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Methylthio)pyrimidine-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Methylthio)pyrimidine-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.