2-((4-(4-Methoxyphenyl)pyrimidin-2-yl)thio)acetonitrile
TL;DR: 2-((4-(4-Methoxyphenyl)pyrimidin-2-yl)thio)acetonitrile (CAS 392718-85-3) is a chemical compound with molecular formula C13H11N3OS and molecular weight 257.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(4-methoxyphenyl)pyrimidin-2-yl]sulfanylacetonitrile
Also Known As: 2-((4-(4-Methoxyphenyl)pyrimidin-2-yl)thio)acetonitrile, 2-[4-(4-methoxyphenyl)pyrimidin-2-yl]sulfanylacetonitrile, 2-[4-(4-methoxyphenyl)pyrimidin-2-ylthio]ethanenitrile, {[4-(4-methoxyphenyl)pyrimidin-2-yl]sulfanyl}acetonitrile, 2-{4-(4-methoxyphenyl)pyrimidin-2-ylsulfanyl}acetonitrile
| Molecular Formula | C13H11N3OS |
|---|---|
| Molecular Weight | 257.06 g/mol |
| LogP | 2.76788 |
| Topological Polar Surface Area | 58.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 257.0623 |
| Heavy Atoms | 18 |
| Complexity | 563.1942 |
Chemical Identifiers
| CAS Number | 392718-85-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NC(=NC=C2)SCC#N |
Product Overview
2-((4-(4-Methoxyphenyl)pyrimidin-2-yl)thio)acetonitrile (CAS 392718-85-3), with molecular formula C13H11N3OS and molecular weight 257.06 g/mol. IUPAC: 2-[4-(4-methoxyphenyl)pyrimidin-2-yl]sulfanylacetonitrile.
Chemical Property Profile of 2-((4-(4-Methoxyphenyl)pyrimidin-2-yl)thio)acetonitrile
Property Insights of 2-((4-(4-Methoxyphenyl)pyrimidin-2-yl)thio)acetonitrile
The XLogP value of 2.76788 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4-(4-Methoxyphenyl)pyrimidin-2-yl)thio)acetonitrile. With a topological polar surface area (TPSA) of 58.8 Ų, 2-((4-(4-Methoxyphenyl)pyrimidin-2-yl)thio)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((4-(4-Methoxyphenyl)pyrimidin-2-yl)thio)acetonitrile 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-((4-(4-Methoxyphenyl)pyrimidin-2-yl)thio)acetonitrile?
The CAS number of 2-((4-(4-Methoxyphenyl)pyrimidin-2-yl)thio)acetonitrile is 392718-85-3.
What is the molecular formula of 2-((4-(4-Methoxyphenyl)pyrimidin-2-yl)thio)acetonitrile?
The molecular formula of 2-((4-(4-Methoxyphenyl)pyrimidin-2-yl)thio)acetonitrile is C13H11N3OS.
What is the molecular weight of 2-((4-(4-Methoxyphenyl)pyrimidin-2-yl)thio)acetonitrile?
The molecular weight of 2-((4-(4-Methoxyphenyl)pyrimidin-2-yl)thio)acetonitrile is 257.06 g/mol.
Where can I buy 2-((4-(4-Methoxyphenyl)pyrimidin-2-yl)thio)acetonitrile?
You can request a quote for 2-((4-(4-Methoxyphenyl)pyrimidin-2-yl)thio)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-(4-Methoxyphenyl)pyrimidin-2-yl)thio)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-(4-Methoxyphenyl)pyrimidin-2-yl)thio)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.