2-Mercapto-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
TL;DR: 2-Mercapto-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CAS 306935-92-2) is a chemical compound with molecular formula C11H9F3N2S and molecular weight 258.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-sulfanylidene-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
Also Known As: 2-Mercapto-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile, 2,4-Diamino Phenoxyethanol Sulfate, 9700AD, 2-sulfanylidene-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile, 5,6,7,8-Tetrahydro-2-thio-4-(trifluoromethyl)quinoline-3-carbonitrile
| Molecular Formula | C11H9F3N2S |
|---|---|
| Molecular Weight | 258.04 g/mol |
| LogP | 3.51347 |
| Topological Polar Surface Area | 39.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 258.04385 |
| Heavy Atoms | 17 |
| Complexity | 551.5508 |
Chemical Identifiers
| CAS Number | 306935-92-2 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(C(=S)N2)C#N)C(F)(F)F |
Product Overview
2-Mercapto-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CAS 306935-92-2), with molecular formula C11H9F3N2S and molecular weight 258.04 g/mol. IUPAC: 2-sulfanylidene-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile.
Chemical Property Profile of 2-Mercapto-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Property Insights of 2-Mercapto-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
The XLogP value of 3.51347 indicates that 2-Mercapto-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.58 Ų, 2-Mercapto-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Mercapto-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile 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 2-Mercapto-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The CAS number of 2-Mercapto-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is 306935-92-2.
What is the molecular formula of 2-Mercapto-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The molecular formula of 2-Mercapto-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is C11H9F3N2S.
What is the molecular weight of 2-Mercapto-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The molecular weight of 2-Mercapto-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is 258.04 g/mol.
Where can I buy 2-Mercapto-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
You can request a quote for 2-Mercapto-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Mercapto-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Mercapto-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.