7-(tert-butyl)-4-(thiophen-2-yl)-2-thioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
TL;DR: 7-(tert-butyl)-4-(thiophen-2-yl)-2-thioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile (CAS 339187-78-9) is a chemical compound with molecular formula C18H20N2S2 and molecular weight 328.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-tert-butyl-2-sulfanylidene-4-thiophen-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
Also Known As: 7-(tert-butyl)-4-(thiophen-2-yl)-2-thioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile, 7-tert-butyl-2-sulfanyl-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile, 7-tert-butyl-4-(2-thienyl)-2-thioxo-1,2,5,6,7,8-hexahydro-3-quinolinecarbonitrile, 7-tert-butyl-2-sulfanylidene-4-thiophen-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
| Molecular Formula | C18H20N2S2 |
|---|---|
| Molecular Weight | 328.11 g/mol |
| LogP | 5.49537 |
| Topological Polar Surface Area | 39.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 328.10678 |
| Heavy Atoms | 22 |
| Complexity | 786.2154 |
Chemical Identifiers
| CAS Number | 339187-78-9 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)NC(=S)C(=C2C3=CC=CS3)C#N |
Product Overview
7-(tert-butyl)-4-(thiophen-2-yl)-2-thioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile (CAS 339187-78-9), with molecular formula C18H20N2S2 and molecular weight 328.11 g/mol. IUPAC: 7-tert-butyl-2-sulfanylidene-4-thiophen-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile.
Chemical Property Profile of 7-(tert-butyl)-4-(thiophen-2-yl)-2-thioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
Property Insights of 7-(tert-butyl)-4-(thiophen-2-yl)-2-thioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
The XLogP value of 5.49537 indicates that 7-(tert-butyl)-4-(thiophen-2-yl)-2-thioxo-1,2,5,6,7,8-hexahydroquinoline-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, 7-(tert-butyl)-4-(thiophen-2-yl)-2-thioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-(tert-butyl)-4-(thiophen-2-yl)-2-thioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7-(tert-butyl)-4-(thiophen-2-yl)-2-thioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile?
The CAS number of 7-(tert-butyl)-4-(thiophen-2-yl)-2-thioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile is 339187-78-9.
What is the molecular formula of 7-(tert-butyl)-4-(thiophen-2-yl)-2-thioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile?
The molecular formula of 7-(tert-butyl)-4-(thiophen-2-yl)-2-thioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile is C18H20N2S2.
What is the molecular weight of 7-(tert-butyl)-4-(thiophen-2-yl)-2-thioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile?
The molecular weight of 7-(tert-butyl)-4-(thiophen-2-yl)-2-thioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile is 328.11 g/mol.
Where can I buy 7-(tert-butyl)-4-(thiophen-2-yl)-2-thioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile?
You can request a quote for 7-(tert-butyl)-4-(thiophen-2-yl)-2-thioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(tert-butyl)-4-(thiophen-2-yl)-2-thioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 7-(tert-butyl)-4-(thiophen-2-yl)-2-thioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.