5-Oxo-2-thioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
TL;DR: 5-Oxo-2-thioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile (CAS 165283-98-7) is a chemical compound with molecular formula C10H8N2OS and molecular weight 204.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-oxo-2-sulfanylidene-1,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: 5-oxo-2-sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile, 5-oxo-2-thioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile, UPCMLD0ENAT5786618:001, 2-mercapto-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile, 5-oxo-2-sulfanylidene-1,6,7,8-tetrahydroquinoline-3-carbonitrile
| Molecular Formula | C10H8N2OS |
|---|---|
| Molecular Weight | 204.04 g/mol |
| LogP | 2.13487 |
| Topological Polar Surface Area | 56.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 204.03574 |
| Heavy Atoms | 14 |
| Complexity | 495.82394 |
Chemical Identifiers
| CAS Number | 165283-98-7 |
|---|---|
| SMILES | C1CC2=C(C=C(C(=S)N2)C#N)C(=O)C1 |
Product Overview
5-Oxo-2-thioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile (CAS 165283-98-7), with molecular formula C10H8N2OS and molecular weight 204.04 g/mol. IUPAC: 5-oxo-2-sulfanylidene-1,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of 5-Oxo-2-thioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
Property Insights of 5-Oxo-2-thioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
The XLogP value of 2.13487 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Oxo-2-thioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile. With a topological polar surface area (TPSA) of 56.65 Ų, 5-Oxo-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, 5-Oxo-2-thioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile has 1 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 5-Oxo-2-thioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile?
The CAS number of 5-Oxo-2-thioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile is 165283-98-7.
What is the molecular formula of 5-Oxo-2-thioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile?
The molecular formula of 5-Oxo-2-thioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile is C10H8N2OS.
What is the molecular weight of 5-Oxo-2-thioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile?
The molecular weight of 5-Oxo-2-thioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile is 204.04 g/mol.
Where can I buy 5-Oxo-2-thioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile?
You can request a quote for 5-Oxo-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 5-Oxo-2-thioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Oxo-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.