![5-{[(4-Fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazole-2-thiol structure](/static/products/7572/757220-77-2.webp)
5-{[(4-Fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazole-2-thiol
TL;DR: 5-{[(4-Fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazole-2-thiol (CAS 757220-77-2) is a chemical compound with molecular formula C9H7FN2S3 and molecular weight 257.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-fluorophenyl)methylsulfanyl]-3H-1,3,4-thiadiazole-2-thione
Also Known As: 5-{[(4-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazole-2-thiol, 5-[(4-fluorobenzyl)thio]-1,3,4-thiadiazole-2-thiol, 5-[(4-fluorophenyl)methylsulfanyl]-3H-1,3,4-thiadiazole-2-thione, 5-(4-fluorobenzylsulfanyl)-[1,3,4]thiadiazole-2-thiol, 5-[(4-fluorophenyl)methylthio]-1,3,4-thiadiazole-2-thiol
| Molecular Formula | C9H7FN2S3 |
|---|---|
| Molecular Weight | 257.98 g/mol |
| LogP | 3.63209 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 257.97552 |
| Heavy Atoms | 15 |
| Complexity | 488.5586 |
Chemical Identifiers
| CAS Number | 757220-77-2 |
|---|---|
| SMILES | C1=CC(=CC=C1CSC2=NNC(=S)S2)F |
Product Overview
5-{[(4-Fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazole-2-thiol (CAS 757220-77-2), with molecular formula C9H7FN2S3 and molecular weight 257.98 g/mol. IUPAC: 5-[(4-fluorophenyl)methylsulfanyl]-3H-1,3,4-thiadiazole-2-thione.
Chemical Property Profile of 5-{[(4-Fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazole-2-thiol
Property Insights of 5-{[(4-Fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazole-2-thiol
The XLogP value of 3.63209 indicates that 5-{[(4-Fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazole-2-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.68 Ų, 5-{[(4-Fluorophenyl)methyl]sulfanyl}-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]sulfanyl}-1,3,4-thiadiazole-2-thiol has 1 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]sulfanyl}-1,3,4-thiadiazole-2-thiol?
The CAS number of 5-{[(4-Fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazole-2-thiol is 757220-77-2.
What is the molecular formula of 5-{[(4-Fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazole-2-thiol?
The molecular formula of 5-{[(4-Fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazole-2-thiol is C9H7FN2S3.
What is the molecular weight of 5-{[(4-Fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazole-2-thiol?
The molecular weight of 5-{[(4-Fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazole-2-thiol is 257.98 g/mol.
Where can I buy 5-{[(4-Fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazole-2-thiol?
You can request a quote for 5-{[(4-Fluorophenyl)methyl]sulfanyl}-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]sulfanyl}-1,3,4-thiadiazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-{[(4-Fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.