![5-{[(4-Fluorophenyl)methyl]amino}-1,3,4-thiadiazole-2-thiol structure](/static/products/871/871801-99-9.png)
5-{[(4-Fluorophenyl)methyl]amino}-1,3,4-thiadiazole-2-thiol
TL;DR: 5-{[(4-Fluorophenyl)methyl]amino}-1,3,4-thiadiazole-2-thiol (CAS 871801-99-9) is a chemical compound with molecular formula C9H8FN3S2 and molecular weight 241.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-fluorophenyl)methylamino]-3H-1,3,4-thiadiazole-2-thione
Also Known As: 5-{[(4-fluorophenyl)methyl]amino}-1,3,4-thiadiazole-2-thiol, 5-[(4-fluorobenzyl)amino]-1,3,4-thiadiazole-2-thiol, 5-[(4-fluorophenyl)methylamino]-3H-1,3,4-thiadiazole-2-thione, 5-((4-FLUOROBENZYL)AMINO)-1,3,4-THIADIAZOLE-2(3H)-THIONE
| Molecular Formula | C9H8FN3S2 |
|---|---|
| Molecular Weight | 241.01 g/mol |
| LogP | 2.95189 |
| Topological Polar Surface Area | 40.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 241.01437 |
| Heavy Atoms | 15 |
| Complexity | 488.5586 |
Chemical Identifiers
| CAS Number | 871801-99-9 |
|---|---|
| SMILES | C1=CC(=CC=C1CNC2=NNC(=S)S2)F |
Product Overview
5-{[(4-Fluorophenyl)methyl]amino}-1,3,4-thiadiazole-2-thiol (CAS 871801-99-9), with molecular formula C9H8FN3S2 and molecular weight 241.01 g/mol. IUPAC: 5-[(4-fluorophenyl)methylamino]-3H-1,3,4-thiadiazole-2-thione.
Chemical Property Profile of 5-{[(4-Fluorophenyl)methyl]amino}-1,3,4-thiadiazole-2-thiol
Property Insights of 5-{[(4-Fluorophenyl)methyl]amino}-1,3,4-thiadiazole-2-thiol
The XLogP value of 2.95189 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-{[(4-Fluorophenyl)methyl]amino}-1,3,4-thiadiazole-2-thiol. With a topological polar surface area (TPSA) of 40.71 Ų, 5-{[(4-Fluorophenyl)methyl]amino}-1,3,4-thiadiazole-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-{[(4-Fluorophenyl)methyl]amino}-1,3,4-thiadiazole-2-thiol has 2 hydrogen bond donor(s) and 4 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-{[(4-Fluorophenyl)methyl]amino}-1,3,4-thiadiazole-2-thiol?
The CAS number of 5-{[(4-Fluorophenyl)methyl]amino}-1,3,4-thiadiazole-2-thiol is 871801-99-9.
What is the molecular formula of 5-{[(4-Fluorophenyl)methyl]amino}-1,3,4-thiadiazole-2-thiol?
The molecular formula of 5-{[(4-Fluorophenyl)methyl]amino}-1,3,4-thiadiazole-2-thiol is C9H8FN3S2.
What is the molecular weight of 5-{[(4-Fluorophenyl)methyl]amino}-1,3,4-thiadiazole-2-thiol?
The molecular weight of 5-{[(4-Fluorophenyl)methyl]amino}-1,3,4-thiadiazole-2-thiol is 241.01 g/mol.
Where can I buy 5-{[(4-Fluorophenyl)methyl]amino}-1,3,4-thiadiazole-2-thiol?
You can request a quote for 5-{[(4-Fluorophenyl)methyl]amino}-1,3,4-thiadiazole-2-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-{[(4-Fluorophenyl)methyl]amino}-1,3,4-thiadiazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-{[(4-Fluorophenyl)methyl]amino}-1,3,4-thiadiazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.