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3-{[3-(Trifluoromethyl)phenyl]sulfanyl}-2-pyrazinecarbonitrile
TL;DR: 3-{[3-(Trifluoromethyl)phenyl]sulfanyl}-2-pyrazinecarbonitrile (CAS 303146-77-2) is a chemical compound with molecular formula C12H6F3N3S and molecular weight 281.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(trifluoromethyl)phenyl]sulfanylpyrazine-2-carbonitrile
Also Known As: 11K-388S, 3-{[3-(trifluoromethyl)phenyl]sulfanyl}-2-pyrazinecarbonitrile, 3-[3-(trifluoromethyl)phenyl]sulfanylpyrazine-2-carbonitrile, 3-{[3-(trifluoromethyl)phenyl]sulfanyl}pyrazine-2-carbonitrile
| Molecular Formula | C12H6F3N3S |
|---|---|
| Molecular Weight | 281.02 g/mol |
| LogP | 3.51828 |
| Topological Polar Surface Area | 49.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 281.02347 |
| Heavy Atoms | 19 |
| Complexity | 634.6021 |
Chemical Identifiers
| CAS Number | 303146-77-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)SC2=NC=CN=C2C#N)C(F)(F)F |
Product Overview
3-{[3-(Trifluoromethyl)phenyl]sulfanyl}-2-pyrazinecarbonitrile (CAS 303146-77-2), with molecular formula C12H6F3N3S and molecular weight 281.02 g/mol. IUPAC: 3-[3-(trifluoromethyl)phenyl]sulfanylpyrazine-2-carbonitrile.
Chemical Property Profile of 3-{[3-(Trifluoromethyl)phenyl]sulfanyl}-2-pyrazinecarbonitrile
Property Insights of 3-{[3-(Trifluoromethyl)phenyl]sulfanyl}-2-pyrazinecarbonitrile
The XLogP value of 3.51828 indicates that 3-{[3-(Trifluoromethyl)phenyl]sulfanyl}-2-pyrazinecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.57 Ų, 3-{[3-(Trifluoromethyl)phenyl]sulfanyl}-2-pyrazinecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-{[3-(Trifluoromethyl)phenyl]sulfanyl}-2-pyrazinecarbonitrile 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 3-{[3-(Trifluoromethyl)phenyl]sulfanyl}-2-pyrazinecarbonitrile?
The CAS number of 3-{[3-(Trifluoromethyl)phenyl]sulfanyl}-2-pyrazinecarbonitrile is 303146-77-2.
What is the molecular formula of 3-{[3-(Trifluoromethyl)phenyl]sulfanyl}-2-pyrazinecarbonitrile?
The molecular formula of 3-{[3-(Trifluoromethyl)phenyl]sulfanyl}-2-pyrazinecarbonitrile is C12H6F3N3S.
What is the molecular weight of 3-{[3-(Trifluoromethyl)phenyl]sulfanyl}-2-pyrazinecarbonitrile?
The molecular weight of 3-{[3-(Trifluoromethyl)phenyl]sulfanyl}-2-pyrazinecarbonitrile is 281.02 g/mol.
Where can I buy 3-{[3-(Trifluoromethyl)phenyl]sulfanyl}-2-pyrazinecarbonitrile?
You can request a quote for 3-{[3-(Trifluoromethyl)phenyl]sulfanyl}-2-pyrazinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[3-(Trifluoromethyl)phenyl]sulfanyl}-2-pyrazinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-{[3-(Trifluoromethyl)phenyl]sulfanyl}-2-pyrazinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.