4-fluoro-N-(phenylcarbamothioyl)benzenesulfonamide
TL;DR: 4-fluoro-N-(phenylcarbamothioyl)benzenesulfonamide (CAS 519150-22-2) is a chemical compound with molecular formula C13H11FN2O2S2 and molecular weight 310.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)sulfonyl-3-phenylthiourea
Also Known As: 3-(4-fluorobenzenesulfonyl)-1-phenylthiourea, 4-fluoro-N-(phenylcarbamothioyl)benzenesulfonamide, 1-(4-fluorophenyl)sulfonyl-3-phenylthiourea, N-(anilinocarbonothioyl)-4-fluorobenzenesulfonamide, F1628-0595
| Molecular Formula | C13H11FN2O2S2 |
|---|---|
| Molecular Weight | 310.02 g/mol |
| LogP | 2.501 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.0246 |
| Heavy Atoms | 20 |
| Complexity | 700.9108 |
Chemical Identifiers
| CAS Number | 519150-22-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=S)NS(=O)(=O)C2=CC=C(C=C2)F |
Product Overview
4-fluoro-N-(phenylcarbamothioyl)benzenesulfonamide (CAS 519150-22-2), with molecular formula C13H11FN2O2S2 and molecular weight 310.02 g/mol. IUPAC: 1-(4-fluorophenyl)sulfonyl-3-phenylthiourea.
Chemical Property Profile of 4-fluoro-N-(phenylcarbamothioyl)benzenesulfonamide
Property Insights of 4-fluoro-N-(phenylcarbamothioyl)benzenesulfonamide
The XLogP value of 2.501 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-fluoro-N-(phenylcarbamothioyl)benzenesulfonamide. With a topological polar surface area (TPSA) of 58.2 Ų, 4-fluoro-N-(phenylcarbamothioyl)benzenesulfonamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-fluoro-N-(phenylcarbamothioyl)benzenesulfonamide has 2 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 4-fluoro-N-(phenylcarbamothioyl)benzenesulfonamide?
The CAS number of 4-fluoro-N-(phenylcarbamothioyl)benzenesulfonamide is 519150-22-2.
What is the molecular formula of 4-fluoro-N-(phenylcarbamothioyl)benzenesulfonamide?
The molecular formula of 4-fluoro-N-(phenylcarbamothioyl)benzenesulfonamide is C13H11FN2O2S2.
What is the molecular weight of 4-fluoro-N-(phenylcarbamothioyl)benzenesulfonamide?
The molecular weight of 4-fluoro-N-(phenylcarbamothioyl)benzenesulfonamide is 310.02 g/mol.
Where can I buy 4-fluoro-N-(phenylcarbamothioyl)benzenesulfonamide?
You can request a quote for 4-fluoro-N-(phenylcarbamothioyl)benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-fluoro-N-(phenylcarbamothioyl)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-fluoro-N-(phenylcarbamothioyl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.