2-Pyrimidin-2-ylsulfanylacetate
TL;DR: 2-Pyrimidin-2-ylsulfanylacetate (CAS 88768-45-0) is a chemical compound with molecular formula C6H5N2O2S- and molecular weight 169.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-pyrimidin-2-ylsulfanylacetate
Also Known As: 2-pyrimidin-2-ylsulfanylacetate, (Pyrimidin-2-ylthio)acetic acid
| Molecular Formula | C6H5N2O2S- |
|---|---|
| Molecular Weight | 169.01 g/mol |
| LogP | -0.6814 |
| Topological Polar Surface Area | 65.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 169.00717 |
| Heavy Atoms | 11 |
| Complexity | 239.59741 |
Chemical Identifiers
| CAS Number | 88768-45-0 |
|---|---|
| SMILES | C1=CN=C(N=C1)SCC(=O)[O-] |
Product Overview
2-Pyrimidin-2-ylsulfanylacetate (CAS 88768-45-0), with molecular formula C6H5N2O2S- and molecular weight 169.01 g/mol. IUPAC: 2-pyrimidin-2-ylsulfanylacetate.
Chemical Property Profile of 2-Pyrimidin-2-ylsulfanylacetate
Property Insights of 2-Pyrimidin-2-ylsulfanylacetate
The XLogP value of -0.6814 indicates that 2-Pyrimidin-2-ylsulfanylacetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 65.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Pyrimidin-2-ylsulfanylacetate. Following Lipinski's Rule of Five, 2-Pyrimidin-2-ylsulfanylacetate 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 2-Pyrimidin-2-ylsulfanylacetate?
The CAS number of 2-Pyrimidin-2-ylsulfanylacetate is 88768-45-0.
What is the molecular formula of 2-Pyrimidin-2-ylsulfanylacetate?
The molecular formula of 2-Pyrimidin-2-ylsulfanylacetate is C6H5N2O2S-.
What is the molecular weight of 2-Pyrimidin-2-ylsulfanylacetate?
The molecular weight of 2-Pyrimidin-2-ylsulfanylacetate is 169.01 g/mol.
Where can I buy 2-Pyrimidin-2-ylsulfanylacetate?
You can request a quote for 2-Pyrimidin-2-ylsulfanylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Pyrimidin-2-ylsulfanylacetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Pyrimidin-2-ylsulfanylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.