3-(1-Pyrrolidinyl)-5-(trifluoromethyl)pyridine-2-carbothioamide
TL;DR: 3-(1-Pyrrolidinyl)-5-(trifluoromethyl)pyridine-2-carbothioamide (CAS 257287-82-4) is a chemical compound with molecular formula C11H12F3N3S and molecular weight 275.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-pyrrolidin-1-yl-5-(trifluoromethyl)pyridine-2-carbothioamide
Also Known As: Maybridge4_003905, 3-(1-pyrrolidinyl)-5-(trifluoromethyl)pyridine-2-carbothioamide, IDI1_032727, 3-(pyrrolidin-1-yl)-5-(trifluoromethyl)pyridine-2-carbothioamide, 3-pyrrolidin-1-yl-5-(trifluoromethyl)pyridine-2-carbothioamide
| Molecular Formula | C11H12F3N3S |
|---|---|
| Molecular Weight | 275.07 g/mol |
| LogP | 2.3348 |
| Topological Polar Surface Area | 42.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 275.0704 |
| Heavy Atoms | 18 |
| Complexity | 467.09152 |
Chemical Identifiers
| CAS Number | 257287-82-4 |
|---|---|
| SMILES | C1CCN(C1)C2=C(N=CC(=C2)C(F)(F)F)C(=S)N |
Product Overview
3-(1-Pyrrolidinyl)-5-(trifluoromethyl)pyridine-2-carbothioamide (CAS 257287-82-4), with molecular formula C11H12F3N3S and molecular weight 275.07 g/mol. IUPAC: 3-pyrrolidin-1-yl-5-(trifluoromethyl)pyridine-2-carbothioamide.
Chemical Property Profile of 3-(1-Pyrrolidinyl)-5-(trifluoromethyl)pyridine-2-carbothioamide
Property Insights of 3-(1-Pyrrolidinyl)-5-(trifluoromethyl)pyridine-2-carbothioamide
The XLogP value of 2.3348 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1-Pyrrolidinyl)-5-(trifluoromethyl)pyridine-2-carbothioamide. With a topological polar surface area (TPSA) of 42.15 Ų, 3-(1-Pyrrolidinyl)-5-(trifluoromethyl)pyridine-2-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1-Pyrrolidinyl)-5-(trifluoromethyl)pyridine-2-carbothioamide has 1 hydrogen bond donor(s) and 3 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-(1-Pyrrolidinyl)-5-(trifluoromethyl)pyridine-2-carbothioamide?
The CAS number of 3-(1-Pyrrolidinyl)-5-(trifluoromethyl)pyridine-2-carbothioamide is 257287-82-4.
What is the molecular formula of 3-(1-Pyrrolidinyl)-5-(trifluoromethyl)pyridine-2-carbothioamide?
The molecular formula of 3-(1-Pyrrolidinyl)-5-(trifluoromethyl)pyridine-2-carbothioamide is C11H12F3N3S.
What is the molecular weight of 3-(1-Pyrrolidinyl)-5-(trifluoromethyl)pyridine-2-carbothioamide?
The molecular weight of 3-(1-Pyrrolidinyl)-5-(trifluoromethyl)pyridine-2-carbothioamide is 275.07 g/mol.
Where can I buy 3-(1-Pyrrolidinyl)-5-(trifluoromethyl)pyridine-2-carbothioamide?
You can request a quote for 3-(1-Pyrrolidinyl)-5-(trifluoromethyl)pyridine-2-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1-Pyrrolidinyl)-5-(trifluoromethyl)pyridine-2-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-Pyrrolidinyl)-5-(trifluoromethyl)pyridine-2-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.