5-(4-Chloroanilino)-1,3,4-thiadiazole-2(3H)-thione
TL;DR: 5-(4-Chloroanilino)-1,3,4-thiadiazole-2(3H)-thione (CAS 14731-29-4) is a chemical compound with molecular formula C8H6ClN3S2 and molecular weight 242.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-chloroanilino)-3H-1,3,4-thiadiazole-2-thione
Also Known As: 5-(4-chloroanilino)-3H-1,3,4-thiadiazole-2-thione, 5-(4-Chloroanilino)-1,3,4-thiadiazole-2(3H)-thione, 5-(4-chloroanilino)-1,3,4-thiadiazole-2-thiol, 1,3,4-Thiadiazole-2(3H)-thione, 5-[(4-chlorophenyl)amino]-, 5-((4-Chlorophenyl)amino)-1,3,4-thiadiazole-2-thiol
| Molecular Formula | C8H6ClN3S2 |
|---|---|
| Molecular Weight | 242.97 g/mol |
| LogP | 3.59769 |
| Topological Polar Surface Area | 40.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 242.96916 |
| Heavy Atoms | 14 |
| Complexity | 473.83167 |
Chemical Identifiers
| CAS Number | 14731-29-4 |
|---|---|
| SMILES | C1=CC(=CC=C1NC2=NNC(=S)S2)Cl |
Product Overview
5-(4-Chloroanilino)-1,3,4-thiadiazole-2(3H)-thione (CAS 14731-29-4), with molecular formula C8H6ClN3S2 and molecular weight 242.97 g/mol. IUPAC: 5-(4-chloroanilino)-3H-1,3,4-thiadiazole-2-thione.
Chemical Property Profile of 5-(4-Chloroanilino)-1,3,4-thiadiazole-2(3H)-thione
Property Insights of 5-(4-Chloroanilino)-1,3,4-thiadiazole-2(3H)-thione
The XLogP value of 3.59769 indicates that 5-(4-Chloroanilino)-1,3,4-thiadiazole-2(3H)-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.71 Ų, 5-(4-Chloroanilino)-1,3,4-thiadiazole-2(3H)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-Chloroanilino)-1,3,4-thiadiazole-2(3H)-thione 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-Chloroanilino)-1,3,4-thiadiazole-2(3H)-thione?
The CAS number of 5-(4-Chloroanilino)-1,3,4-thiadiazole-2(3H)-thione is 14731-29-4.
What is the molecular formula of 5-(4-Chloroanilino)-1,3,4-thiadiazole-2(3H)-thione?
The molecular formula of 5-(4-Chloroanilino)-1,3,4-thiadiazole-2(3H)-thione is C8H6ClN3S2.
What is the molecular weight of 5-(4-Chloroanilino)-1,3,4-thiadiazole-2(3H)-thione?
The molecular weight of 5-(4-Chloroanilino)-1,3,4-thiadiazole-2(3H)-thione is 242.97 g/mol.
Where can I buy 5-(4-Chloroanilino)-1,3,4-thiadiazole-2(3H)-thione?
You can request a quote for 5-(4-Chloroanilino)-1,3,4-thiadiazole-2(3H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Chloroanilino)-1,3,4-thiadiazole-2(3H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Chloroanilino)-1,3,4-thiadiazole-2(3H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.