N-(2-chlorophenyl)-4-fluorobenzenecarbothioamide
TL;DR: N-(2-chlorophenyl)-4-fluorobenzenecarbothioamide (CAS 1629-22-7) is a chemical compound with molecular formula C13H9ClFNS and molecular weight 265.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-chlorophenyl)-4-fluorobenzenecarbothioamide
Also Known As: N-(2-chlorophenyl)-4-fluorobenzenecarbothioamide, N-(2-chlorophenyl)-4-fluoro-benzenecarbothioamide, N-(2-Chlorophenyl)-4-fluorobenzene-1-carbothioamide
| Molecular Formula | C13H9ClFNS |
|---|---|
| Molecular Weight | 265.01 g/mol |
| LogP | 4.2667 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 265.01282 |
| Heavy Atoms | 17 |
| Complexity | 539.37067 |
Chemical Identifiers
| CAS Number | 1629-22-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)NC(=S)C2=CC=C(C=C2)F)Cl |
Product Overview
N-(2-chlorophenyl)-4-fluorobenzenecarbothioamide (CAS 1629-22-7), with molecular formula C13H9ClFNS and molecular weight 265.01 g/mol. IUPAC: N-(2-chlorophenyl)-4-fluorobenzenecarbothioamide.
Chemical Property Profile of N-(2-chlorophenyl)-4-fluorobenzenecarbothioamide
Property Insights of N-(2-chlorophenyl)-4-fluorobenzenecarbothioamide
The XLogP value of 4.2667 indicates that N-(2-chlorophenyl)-4-fluorobenzenecarbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.03 Ų, N-(2-chlorophenyl)-4-fluorobenzenecarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-chlorophenyl)-4-fluorobenzenecarbothioamide has 1 hydrogen bond donor(s) and 1 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 N-(2-chlorophenyl)-4-fluorobenzenecarbothioamide?
The CAS number of N-(2-chlorophenyl)-4-fluorobenzenecarbothioamide is 1629-22-7.
What is the molecular formula of N-(2-chlorophenyl)-4-fluorobenzenecarbothioamide?
The molecular formula of N-(2-chlorophenyl)-4-fluorobenzenecarbothioamide is C13H9ClFNS.
What is the molecular weight of N-(2-chlorophenyl)-4-fluorobenzenecarbothioamide?
The molecular weight of N-(2-chlorophenyl)-4-fluorobenzenecarbothioamide is 265.01 g/mol.
Where can I buy N-(2-chlorophenyl)-4-fluorobenzenecarbothioamide?
You can request a quote for N-(2-chlorophenyl)-4-fluorobenzenecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-chlorophenyl)-4-fluorobenzenecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-chlorophenyl)-4-fluorobenzenecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.