3-Quinolinecarbonitrile, 5,6,7,8-tetrahydro-2-(2-propenylthio)-
TL;DR: 3-Quinolinecarbonitrile, 5,6,7,8-tetrahydro-2-(2-propenylthio)- (CAS 112629-71-7) is a chemical compound with molecular formula C13H14N2S and molecular weight 230.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-prop-2-enylsulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: BAS 03395134, 3-Quinolinecarbonitrile, 5,6,7,8-tetrahydro-2-(2-propenylthio)-, 2-(Allylthio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-prop-2-enylsulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-(allylthio)-5,6,7,8-tetrahydro-3-quinolinecarbonitrile
| Molecular Formula | C13H14N2S |
|---|---|
| Molecular Weight | 230.09 g/mol |
| LogP | 3.11018 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 230.08777 |
| Heavy Atoms | 16 |
| Complexity | 445.9812 |
Chemical Identifiers
| CAS Number | 112629-71-7 |
|---|---|
| SMILES | C=CCSC1=C(C=C2CCCCC2=N1)C#N |
Product Overview
3-Quinolinecarbonitrile, 5,6,7,8-tetrahydro-2-(2-propenylthio)- (CAS 112629-71-7), with molecular formula C13H14N2S and molecular weight 230.09 g/mol. IUPAC: 2-prop-2-enylsulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of 3-Quinolinecarbonitrile, 5,6,7,8-tetrahydro-2-(2-propenylthio)-
Property Insights of 3-Quinolinecarbonitrile, 5,6,7,8-tetrahydro-2-(2-propenylthio)-
The XLogP value of 3.11018 indicates that 3-Quinolinecarbonitrile, 5,6,7,8-tetrahydro-2-(2-propenylthio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.68 Ų, 3-Quinolinecarbonitrile, 5,6,7,8-tetrahydro-2-(2-propenylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Quinolinecarbonitrile, 5,6,7,8-tetrahydro-2-(2-propenylthio)- has 0 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-Quinolinecarbonitrile, 5,6,7,8-tetrahydro-2-(2-propenylthio)-?
The CAS number of 3-Quinolinecarbonitrile, 5,6,7,8-tetrahydro-2-(2-propenylthio)- is 112629-71-7.
What is the molecular formula of 3-Quinolinecarbonitrile, 5,6,7,8-tetrahydro-2-(2-propenylthio)-?
The molecular formula of 3-Quinolinecarbonitrile, 5,6,7,8-tetrahydro-2-(2-propenylthio)- is C13H14N2S.
What is the molecular weight of 3-Quinolinecarbonitrile, 5,6,7,8-tetrahydro-2-(2-propenylthio)-?
The molecular weight of 3-Quinolinecarbonitrile, 5,6,7,8-tetrahydro-2-(2-propenylthio)- is 230.09 g/mol.
Where can I buy 3-Quinolinecarbonitrile, 5,6,7,8-tetrahydro-2-(2-propenylthio)-?
You can request a quote for 3-Quinolinecarbonitrile, 5,6,7,8-tetrahydro-2-(2-propenylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Quinolinecarbonitrile, 5,6,7,8-tetrahydro-2-(2-propenylthio)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Quinolinecarbonitrile, 5,6,7,8-tetrahydro-2-(2-propenylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.