![2-[(4-Fluorophenyl)sulfanyl]-5-pyrimidinecarbonitrile structure](/static/products/4000/400086-01-3.webp)
2-[(4-Fluorophenyl)sulfanyl]-5-pyrimidinecarbonitrile
TL;DR: 2-[(4-Fluorophenyl)sulfanyl]-5-pyrimidinecarbonitrile (CAS 400086-01-3) is a chemical compound with molecular formula C11H6FN3S and molecular weight 231.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-fluorophenyl)sulfanylpyrimidine-5-carbonitrile
Also Known As: 2-[(4-fluorophenyl)sulfanyl]-5-pyrimidinecarbonitrile, 2-(4-fluorophenyl)sulfanylpyrimidine-5-carbonitrile, 7E-052, 2-[(4-fluorophenyl)sulfanyl]pyrimidine-5-carbonitrile
| Molecular Formula | C11H6FN3S |
|---|---|
| Molecular Weight | 231.03 g/mol |
| LogP | 2.63858 |
| Topological Polar Surface Area | 49.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.02664 |
| Heavy Atoms | 16 |
| Complexity | 516.4211 |
Chemical Identifiers
| CAS Number | 400086-01-3 |
|---|---|
| SMILES | C1=CC(=CC=C1F)SC2=NC=C(C=N2)C#N |
Product Overview
2-[(4-Fluorophenyl)sulfanyl]-5-pyrimidinecarbonitrile (CAS 400086-01-3), with molecular formula C11H6FN3S and molecular weight 231.03 g/mol. IUPAC: 2-(4-fluorophenyl)sulfanylpyrimidine-5-carbonitrile.
Chemical Property Profile of 2-[(4-Fluorophenyl)sulfanyl]-5-pyrimidinecarbonitrile
Property Insights of 2-[(4-Fluorophenyl)sulfanyl]-5-pyrimidinecarbonitrile
The XLogP value of 2.63858 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-Fluorophenyl)sulfanyl]-5-pyrimidinecarbonitrile. With a topological polar surface area (TPSA) of 49.57 Ų, 2-[(4-Fluorophenyl)sulfanyl]-5-pyrimidinecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4-Fluorophenyl)sulfanyl]-5-pyrimidinecarbonitrile 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-Fluorophenyl)sulfanyl]-5-pyrimidinecarbonitrile?
The CAS number of 2-[(4-Fluorophenyl)sulfanyl]-5-pyrimidinecarbonitrile is 400086-01-3.
What is the molecular formula of 2-[(4-Fluorophenyl)sulfanyl]-5-pyrimidinecarbonitrile?
The molecular formula of 2-[(4-Fluorophenyl)sulfanyl]-5-pyrimidinecarbonitrile is C11H6FN3S.
What is the molecular weight of 2-[(4-Fluorophenyl)sulfanyl]-5-pyrimidinecarbonitrile?
The molecular weight of 2-[(4-Fluorophenyl)sulfanyl]-5-pyrimidinecarbonitrile is 231.03 g/mol.
Where can I buy 2-[(4-Fluorophenyl)sulfanyl]-5-pyrimidinecarbonitrile?
You can request a quote for 2-[(4-Fluorophenyl)sulfanyl]-5-pyrimidinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-Fluorophenyl)sulfanyl]-5-pyrimidinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Fluorophenyl)sulfanyl]-5-pyrimidinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.