5-Chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate
TL;DR: 5-Chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate (CAS 74840-35-0) is a chemical compound with molecular formula C6H4ClN2O2S- and molecular weight 202.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2-methylsulfanylpyrimidine-4-carboxylate
Also Known As: 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate, 5-Chloro-2-(methylthio)pyrimidine-4-carboxylate, 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate, 5-chloro-2-methylthiopyrimidine-4-carboxylic acid
| Molecular Formula | C6H4ClN2O2S- |
|---|---|
| Molecular Weight | 202.97 g/mol |
| LogP | 0.2154 |
| Topological Polar Surface Area | 65.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.9682 |
| Heavy Atoms | 12 |
| Complexity | 318.41644 |
Chemical Identifiers
| CAS Number | 74840-35-0 |
|---|---|
| SMILES | CSC1=NC=C(C(=N1)C(=O)[O-])Cl |
Product Overview
5-Chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate (CAS 74840-35-0), with molecular formula C6H4ClN2O2S- and molecular weight 202.97 g/mol. IUPAC: 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate.
Chemical Property Profile of 5-Chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate
Property Insights of 5-Chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate
The XLogP value of 0.2154 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate. The TPSA of 65.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate. Following Lipinski's Rule of Five, 5-Chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate has 0 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 5-Chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate?
The CAS number of 5-Chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate is 74840-35-0.
What is the molecular formula of 5-Chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate?
The molecular formula of 5-Chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate is C6H4ClN2O2S-.
What is the molecular weight of 5-Chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate?
The molecular weight of 5-Chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate is 202.97 g/mol.
Where can I buy 5-Chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate?
You can request a quote for 5-Chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.