![2-{[4-(2-Phenylethenyl)pyrimidin-2-yl]sulfanyl}acetonitrile structure](/static/products/3384/338407-73-1.webp)
2-{[4-(2-Phenylethenyl)pyrimidin-2-yl]sulfanyl}acetonitrile
TL;DR: 2-{[4-(2-Phenylethenyl)pyrimidin-2-yl]sulfanyl}acetonitrile (CAS 338407-73-1) is a chemical compound with molecular formula C14H11N3S and molecular weight 253.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(2-phenylethenyl)pyrimidin-2-yl]sulfanylacetonitrile
Also Known As: 2-[(4-styryl-2-pyrimidinyl)sulfanyl]acetonitrile, 2-{[4-(2-phenylethenyl)pyrimidin-2-yl]sulfanyl}acetonitrile, 2-[4-(2-phenylethenyl)pyrimidin-2-yl]sulfanylacetonitrile
| Molecular Formula | C14H11N3S |
|---|---|
| Molecular Weight | 253.07 g/mol |
| LogP | 3.26268 |
| Topological Polar Surface Area | 49.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 253.06737 |
| Heavy Atoms | 18 |
| Complexity | 573.093 |
Chemical Identifiers
| CAS Number | 338407-73-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=CC2=NC(=NC=C2)SCC#N |
Product Overview
2-{[4-(2-Phenylethenyl)pyrimidin-2-yl]sulfanyl}acetonitrile (CAS 338407-73-1), with molecular formula C14H11N3S and molecular weight 253.07 g/mol. IUPAC: 2-[4-(2-phenylethenyl)pyrimidin-2-yl]sulfanylacetonitrile.
Chemical Property Profile of 2-{[4-(2-Phenylethenyl)pyrimidin-2-yl]sulfanyl}acetonitrile
Property Insights of 2-{[4-(2-Phenylethenyl)pyrimidin-2-yl]sulfanyl}acetonitrile
The XLogP value of 3.26268 indicates that 2-{[4-(2-Phenylethenyl)pyrimidin-2-yl]sulfanyl}acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.57 Ų, 2-{[4-(2-Phenylethenyl)pyrimidin-2-yl]sulfanyl}acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[4-(2-Phenylethenyl)pyrimidin-2-yl]sulfanyl}acetonitrile has 0 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-{[4-(2-Phenylethenyl)pyrimidin-2-yl]sulfanyl}acetonitrile?
The CAS number of 2-{[4-(2-Phenylethenyl)pyrimidin-2-yl]sulfanyl}acetonitrile is 338407-73-1.
What is the molecular formula of 2-{[4-(2-Phenylethenyl)pyrimidin-2-yl]sulfanyl}acetonitrile?
The molecular formula of 2-{[4-(2-Phenylethenyl)pyrimidin-2-yl]sulfanyl}acetonitrile is C14H11N3S.
What is the molecular weight of 2-{[4-(2-Phenylethenyl)pyrimidin-2-yl]sulfanyl}acetonitrile?
The molecular weight of 2-{[4-(2-Phenylethenyl)pyrimidin-2-yl]sulfanyl}acetonitrile is 253.07 g/mol.
Where can I buy 2-{[4-(2-Phenylethenyl)pyrimidin-2-yl]sulfanyl}acetonitrile?
You can request a quote for 2-{[4-(2-Phenylethenyl)pyrimidin-2-yl]sulfanyl}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-(2-Phenylethenyl)pyrimidin-2-yl]sulfanyl}acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-(2-Phenylethenyl)pyrimidin-2-yl]sulfanyl}acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.