4-(4-Chlorophenyl)-1,2,3-thiadiazole-5-thiol
TL;DR: 4-(4-Chlorophenyl)-1,2,3-thiadiazole-5-thiol (CAS 338408-98-3) is a chemical compound with molecular formula C8H5ClN2S2 and molecular weight 227.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)-2H-thiadiazole-5-thione
Also Known As: 4-(4-chlorophenyl)-1,2,3-thiadiazole-5-thiol, chlorophenylthiadiazolethiol, 4-(4-chlorophenyl)-2H-thiadiazole-5-thione, 3H-387S, 0692AE
| Molecular Formula | C8H5ClN2S2 |
|---|---|
| Molecular Weight | 227.96 g/mol |
| LogP | 3.52109 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 227.95827 |
| Heavy Atoms | 13 |
| Complexity | 457.4963 |
Chemical Identifiers
| CAS Number | 338408-98-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NNSC2=S)Cl |
Product Overview
4-(4-Chlorophenyl)-1,2,3-thiadiazole-5-thiol (CAS 338408-98-3), with molecular formula C8H5ClN2S2 and molecular weight 227.96 g/mol. IUPAC: 4-(4-chlorophenyl)-2H-thiadiazole-5-thione.
Chemical Property Profile of 4-(4-Chlorophenyl)-1,2,3-thiadiazole-5-thiol
Property Insights of 4-(4-Chlorophenyl)-1,2,3-thiadiazole-5-thiol
The XLogP value of 3.52109 indicates that 4-(4-Chlorophenyl)-1,2,3-thiadiazole-5-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, 4-(4-Chlorophenyl)-1,2,3-thiadiazole-5-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Chlorophenyl)-1,2,3-thiadiazole-5-thiol has 1 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-(4-Chlorophenyl)-1,2,3-thiadiazole-5-thiol?
The CAS number of 4-(4-Chlorophenyl)-1,2,3-thiadiazole-5-thiol is 338408-98-3.
What is the molecular formula of 4-(4-Chlorophenyl)-1,2,3-thiadiazole-5-thiol?
The molecular formula of 4-(4-Chlorophenyl)-1,2,3-thiadiazole-5-thiol is C8H5ClN2S2.
What is the molecular weight of 4-(4-Chlorophenyl)-1,2,3-thiadiazole-5-thiol?
The molecular weight of 4-(4-Chlorophenyl)-1,2,3-thiadiazole-5-thiol is 227.96 g/mol.
Where can I buy 4-(4-Chlorophenyl)-1,2,3-thiadiazole-5-thiol?
You can request a quote for 4-(4-Chlorophenyl)-1,2,3-thiadiazole-5-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Chlorophenyl)-1,2,3-thiadiazole-5-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Chlorophenyl)-1,2,3-thiadiazole-5-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.