3-cyano-6-cyclopropyl-4-trifluoromethyl-2(1H)-pyridinethione
TL;DR: 3-cyano-6-cyclopropyl-4-trifluoromethyl-2(1H)-pyridinethione (CAS 625370-90-3) is a chemical compound with molecular formula C10H7F3N2S and molecular weight 244.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-cyclopropyl-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
Also Known As: 3-cyano-6-cyclopropyl-4-trifluoromethyl-2(1H)-pyridinethione, 6-cyclopropyl-2-mercapto-4-(trifluoromethyl)nicotinonitrile, 6-cyclopropyl-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile, 6-cyclopropyl-2-sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile
| Molecular Formula | C10H7F3N2S |
|---|---|
| Molecular Weight | 244.03 g/mol |
| LogP | 3.51207 |
| Topological Polar Surface Area | 39.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 244.0282 |
| Heavy Atoms | 16 |
| Complexity | 520.3364 |
Chemical Identifiers
| CAS Number | 625370-90-3 |
|---|---|
| SMILES | C1CC1C2=CC(=C(C(=S)N2)C#N)C(F)(F)F |
Product Overview
3-cyano-6-cyclopropyl-4-trifluoromethyl-2(1H)-pyridinethione (CAS 625370-90-3), with molecular formula C10H7F3N2S and molecular weight 244.03 g/mol. IUPAC: 6-cyclopropyl-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile.
Chemical Property Profile of 3-cyano-6-cyclopropyl-4-trifluoromethyl-2(1H)-pyridinethione
Property Insights of 3-cyano-6-cyclopropyl-4-trifluoromethyl-2(1H)-pyridinethione
The XLogP value of 3.51207 indicates that 3-cyano-6-cyclopropyl-4-trifluoromethyl-2(1H)-pyridinethione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.58 Ų, 3-cyano-6-cyclopropyl-4-trifluoromethyl-2(1H)-pyridinethione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-cyano-6-cyclopropyl-4-trifluoromethyl-2(1H)-pyridinethione has 1 hydrogen bond donor(s) and 2 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-cyano-6-cyclopropyl-4-trifluoromethyl-2(1H)-pyridinethione?
The CAS number of 3-cyano-6-cyclopropyl-4-trifluoromethyl-2(1H)-pyridinethione is 625370-90-3.
What is the molecular formula of 3-cyano-6-cyclopropyl-4-trifluoromethyl-2(1H)-pyridinethione?
The molecular formula of 3-cyano-6-cyclopropyl-4-trifluoromethyl-2(1H)-pyridinethione is C10H7F3N2S.
What is the molecular weight of 3-cyano-6-cyclopropyl-4-trifluoromethyl-2(1H)-pyridinethione?
The molecular weight of 3-cyano-6-cyclopropyl-4-trifluoromethyl-2(1H)-pyridinethione is 244.03 g/mol.
Where can I buy 3-cyano-6-cyclopropyl-4-trifluoromethyl-2(1H)-pyridinethione?
You can request a quote for 3-cyano-6-cyclopropyl-4-trifluoromethyl-2(1H)-pyridinethione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-cyano-6-cyclopropyl-4-trifluoromethyl-2(1H)-pyridinethione?
Yes, KEHONG BIO provides custom synthesis services for 3-cyano-6-cyclopropyl-4-trifluoromethyl-2(1H)-pyridinethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.