![N-{5-[(4-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-N-phenylamine structure](/static/products/866/866041-99-8.png)
N-{5-[(4-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-N-phenylamine
TL;DR: N-{5-[(4-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-N-phenylamine (CAS 866041-99-8) is a chemical compound with molecular formula C15H12FN3S2 and molecular weight 317.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-fluorophenyl)methylsulfanyl]-N-phenyl-1,3,4-thiadiazol-2-amine
Also Known As: N-{5-[(4-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-N-phenylamine, 5-{[(4-fluorophenyl)methyl]sulfanyl}-N-phenyl-1,3,4-thiadiazol-2-amine, 5-[(4-fluorophenyl)methylsulfanyl]-N-phenyl-1,3,4-thiadiazol-2-amine, AB00726318-01
| Molecular Formula | C15H12FN3S2 |
|---|---|
| Molecular Weight | 317.05 g/mol |
| LogP | 4.7131 |
| Topological Polar Surface Area | 37.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 317.04565 |
| Heavy Atoms | 21 |
| Complexity | 698.45276 |
Chemical Identifiers
| CAS Number | 866041-99-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=NN=C(S2)SCC3=CC=C(C=C3)F |
Product Overview
N-{5-[(4-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-N-phenylamine (CAS 866041-99-8), with molecular formula C15H12FN3S2 and molecular weight 317.05 g/mol. IUPAC: 5-[(4-fluorophenyl)methylsulfanyl]-N-phenyl-1,3,4-thiadiazol-2-amine.
Chemical Property Profile of N-{5-[(4-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-N-phenylamine
Property Insights of N-{5-[(4-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-N-phenylamine
The XLogP value of 4.7131 indicates that N-{5-[(4-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-N-phenylamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.81 Ų, N-{5-[(4-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-N-phenylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-{5-[(4-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-N-phenylamine has 1 hydrogen bond donor(s) and 5 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-{5-[(4-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-N-phenylamine?
The CAS number of N-{5-[(4-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-N-phenylamine is 866041-99-8.
What is the molecular formula of N-{5-[(4-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-N-phenylamine?
The molecular formula of N-{5-[(4-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-N-phenylamine is C15H12FN3S2.
What is the molecular weight of N-{5-[(4-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-N-phenylamine?
The molecular weight of N-{5-[(4-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-N-phenylamine is 317.05 g/mol.
Where can I buy N-{5-[(4-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-N-phenylamine?
You can request a quote for N-{5-[(4-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-N-phenylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{5-[(4-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-N-phenylamine?
Yes, KEHONG BIO provides custom synthesis services for N-{5-[(4-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-N-phenylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.