2-Quinolinecarbothioamide, N-(4-methylphenyl)-
TL;DR: 2-Quinolinecarbothioamide, N-(4-methylphenyl)- (CAS 96450-23-6) is a chemical compound with molecular formula C17H14N2S and molecular weight 278.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-methylphenyl)quinoline-2-carbothioamide
Also Known As: 2-Quinolinecarbothioamide, N-(4-methylphenyl)-, N-(4-methylphenyl)quinoline-2-carbothioamide, N-(4-methylphenyl)-2-quinolinecarbothioamide, AB00114342-01
| Molecular Formula | C17H14N2S |
|---|---|
| Molecular Weight | 278.09 g/mol |
| LogP | 4.33082 |
| Topological Polar Surface Area | 24.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 278.08777 |
| Heavy Atoms | 20 |
| Complexity | 763.3018 |
Chemical Identifiers
| CAS Number | 96450-23-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=S)C2=NC3=CC=CC=C3C=C2 |
Product Overview
2-Quinolinecarbothioamide, N-(4-methylphenyl)- (CAS 96450-23-6), with molecular formula C17H14N2S and molecular weight 278.09 g/mol. IUPAC: N-(4-methylphenyl)quinoline-2-carbothioamide.
Chemical Property Profile of 2-Quinolinecarbothioamide, N-(4-methylphenyl)-
Property Insights of 2-Quinolinecarbothioamide, N-(4-methylphenyl)-
The XLogP value of 4.33082 indicates that 2-Quinolinecarbothioamide, N-(4-methylphenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.92 Ų, 2-Quinolinecarbothioamide, N-(4-methylphenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Quinolinecarbothioamide, N-(4-methylphenyl)- 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-Quinolinecarbothioamide, N-(4-methylphenyl)-?
The CAS number of 2-Quinolinecarbothioamide, N-(4-methylphenyl)- is 96450-23-6.
What is the molecular formula of 2-Quinolinecarbothioamide, N-(4-methylphenyl)-?
The molecular formula of 2-Quinolinecarbothioamide, N-(4-methylphenyl)- is C17H14N2S.
What is the molecular weight of 2-Quinolinecarbothioamide, N-(4-methylphenyl)-?
The molecular weight of 2-Quinolinecarbothioamide, N-(4-methylphenyl)- is 278.09 g/mol.
Where can I buy 2-Quinolinecarbothioamide, N-(4-methylphenyl)-?
You can request a quote for 2-Quinolinecarbothioamide, N-(4-methylphenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Quinolinecarbothioamide, N-(4-methylphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Quinolinecarbothioamide, N-(4-methylphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.