2,4-Bis(methylsulfanyl)pyrimidine-5-carboxylic acid
TL;DR: 2,4-Bis(methylsulfanyl)pyrimidine-5-carboxylic acid (CAS 6960-23-2) is a chemical compound with molecular formula C7H8N2O2S2 and molecular weight 216.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-bis(methylsulfanyl)pyrimidine-5-carboxylic acid
Also Known As: 2,4-bis(methylsulfanyl)pyrimidine-5-carboxylic acid, 2,4-Bis(methylthio)pyrimidine-5-carboxylic acid, 2,4-Bis(methylthio)pyrimidine-5-carboxylicacid, C-0507, 2,4-BIS(METHYLSULFANYL)PYRIMIDINE-5-CARBOXYLIC ACID[6299-27-0]
| Molecular Formula | C7H8N2O2S2 |
|---|---|
| Molecular Weight | 216.00 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.00272 |
| Heavy Atoms | 13 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 6960-23-2 |
|---|---|
| SMILES | CSC1=NC(=NC=C1C(=O)O)SC |
| InChIKey | ODSORSOVOMCEHN-UHFFFAOYSA-N |
Product Overview
2,4-Bis(methylsulfanyl)pyrimidine-5-carboxylic acid (CAS 6960-23-2), with molecular formula C7H8N2O2S2 and molecular weight 216.00 g/mol. IUPAC: 2,4-bis(methylsulfanyl)pyrimidine-5-carboxylic acid.
Chemical Property Profile of 2,4-Bis(methylsulfanyl)pyrimidine-5-carboxylic acid
Property Insights of 2,4-Bis(methylsulfanyl)pyrimidine-5-carboxylic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Bis(methylsulfanyl)pyrimidine-5-carboxylic acid. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Bis(methylsulfanyl)pyrimidine-5-carboxylic acid. Following Lipinski's Rule of Five, 2,4-Bis(methylsulfanyl)pyrimidine-5-carboxylic acid has 1 hydrogen bond donor(s) and 6 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-Bis(methylsulfanyl)pyrimidine-5-carboxylic acid?
The CAS number of 2,4-Bis(methylsulfanyl)pyrimidine-5-carboxylic acid is 6960-23-2.
What is the molecular formula of 2,4-Bis(methylsulfanyl)pyrimidine-5-carboxylic acid?
The molecular formula of 2,4-Bis(methylsulfanyl)pyrimidine-5-carboxylic acid is C7H8N2O2S2.
What is the molecular weight of 2,4-Bis(methylsulfanyl)pyrimidine-5-carboxylic acid?
The molecular weight of 2,4-Bis(methylsulfanyl)pyrimidine-5-carboxylic acid is 216.00 g/mol.
Where can I buy 2,4-Bis(methylsulfanyl)pyrimidine-5-carboxylic acid?
You can request a quote for 2,4-Bis(methylsulfanyl)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 2,4-Bis(methylsulfanyl)pyrimidine-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Bis(methylsulfanyl)pyrimidine-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.