6-Ethyl-2-mercapto-5,6,7,8-tetrahydroquinoline-3-carbonitrile
TL;DR: 6-Ethyl-2-mercapto-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CAS 625370-73-2) is a chemical compound with molecular formula C12H14N2S and molecular weight 218.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-ethyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
Also Known As: 6-Ethyl-2-mercapto-5,6,7,8-tetrahydroquinoline-3-carbonitrile, 6-ethyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile, 6-ethyl-2-thioxo-1,2,5,6,7,8-hexahydro-3-quinolinecarbonitrile, 3-QUINOLINECARBONITRILE, 6-ETHYL-1,2,5,6,7,8-HEXAHYDRO-2-THIOXO-, 3-Quinolinecarbonitrile,6-ethyl-1,2,5,6,7,8-hexahydro-2-thioxo-(9CI)
| Molecular Formula | C12H14N2S |
|---|---|
| Molecular Weight | 218.09 g/mol |
| LogP | 3.13077 |
| Topological Polar Surface Area | 39.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 218.08777 |
| Heavy Atoms | 15 |
| Complexity | 467.49097 |
Chemical Identifiers
| CAS Number | 625370-73-2 |
|---|---|
| SMILES | CCC1CCC2=C(C1)C=C(C(=S)N2)C#N |
Product Overview
6-Ethyl-2-mercapto-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CAS 625370-73-2), with molecular formula C12H14N2S and molecular weight 218.09 g/mol. IUPAC: 6-ethyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile.
Chemical Property Profile of 6-Ethyl-2-mercapto-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Property Insights of 6-Ethyl-2-mercapto-5,6,7,8-tetrahydroquinoline-3-carbonitrile
The XLogP value of 3.13077 indicates that 6-Ethyl-2-mercapto-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, 6-Ethyl-2-mercapto-5,6,7,8-tetrahydroquinoline-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Ethyl-2-mercapto-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 6-Ethyl-2-mercapto-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The CAS number of 6-Ethyl-2-mercapto-5,6,7,8-tetrahydroquinoline-3-carbonitrile is 625370-73-2.
What is the molecular formula of 6-Ethyl-2-mercapto-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The molecular formula of 6-Ethyl-2-mercapto-5,6,7,8-tetrahydroquinoline-3-carbonitrile is C12H14N2S.
What is the molecular weight of 6-Ethyl-2-mercapto-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The molecular weight of 6-Ethyl-2-mercapto-5,6,7,8-tetrahydroquinoline-3-carbonitrile is 218.09 g/mol.
Where can I buy 6-Ethyl-2-mercapto-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
You can request a quote for 6-Ethyl-2-mercapto-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 6-Ethyl-2-mercapto-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-Ethyl-2-mercapto-5,6,7,8-tetrahydroquinoline-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.