![2-{[4-(Trifluoromethyl)pyrimidin-2-YL]thio}aniline structure](/static/products/6805/680593-98-0.webp)
2-{[4-(Trifluoromethyl)pyrimidin-2-YL]thio}aniline
TL;DR: 2-{[4-(Trifluoromethyl)pyrimidin-2-YL]thio}aniline (CAS 680593-98-0) is a chemical compound with molecular formula C11H8F3N3S and molecular weight 271.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylaniline
Also Known As: Maybridge1_003816, 2-{[4-(TRIFLUOROMETHYL)PYRIMIDIN-2-YL]THIO}ANILINE, 2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylaniline, 2-{[4-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}aniline, 2-{[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}aniline
| Molecular Formula | C11H8F3N3S |
|---|---|
| Molecular Weight | 271.04 g/mol |
| LogP | 3.2288 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.0391 |
| Heavy Atoms | 18 |
| Complexity | 557.22485 |
Chemical Identifiers
| CAS Number | 680593-98-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)N)SC2=NC=CC(=N2)C(F)(F)F |
Product Overview
2-{[4-(Trifluoromethyl)pyrimidin-2-YL]thio}aniline (CAS 680593-98-0), with molecular formula C11H8F3N3S and molecular weight 271.04 g/mol. IUPAC: 2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylaniline.
Chemical Property Profile of 2-{[4-(Trifluoromethyl)pyrimidin-2-YL]thio}aniline
Property Insights of 2-{[4-(Trifluoromethyl)pyrimidin-2-YL]thio}aniline
The XLogP value of 3.2288 indicates that 2-{[4-(Trifluoromethyl)pyrimidin-2-YL]thio}aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, 2-{[4-(Trifluoromethyl)pyrimidin-2-YL]thio}aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[4-(Trifluoromethyl)pyrimidin-2-YL]thio}aniline has 1 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-(Trifluoromethyl)pyrimidin-2-YL]thio}aniline?
The CAS number of 2-{[4-(Trifluoromethyl)pyrimidin-2-YL]thio}aniline is 680593-98-0.
What is the molecular formula of 2-{[4-(Trifluoromethyl)pyrimidin-2-YL]thio}aniline?
The molecular formula of 2-{[4-(Trifluoromethyl)pyrimidin-2-YL]thio}aniline is C11H8F3N3S.
What is the molecular weight of 2-{[4-(Trifluoromethyl)pyrimidin-2-YL]thio}aniline?
The molecular weight of 2-{[4-(Trifluoromethyl)pyrimidin-2-YL]thio}aniline is 271.04 g/mol.
Where can I buy 2-{[4-(Trifluoromethyl)pyrimidin-2-YL]thio}aniline?
You can request a quote for 2-{[4-(Trifluoromethyl)pyrimidin-2-YL]thio}aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[4-(Trifluoromethyl)pyrimidin-2-YL]thio}aniline?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-(Trifluoromethyl)pyrimidin-2-YL]thio}aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.