![5-(4-Ethoxy-phenylamino)-[1,3,4]thiadiazole-2-thiol structure](/static/products/6816/68161-60-4.webp)
5-(4-Ethoxy-phenylamino)-[1,3,4]thiadiazole-2-thiol
TL;DR: 5-(4-Ethoxy-phenylamino)-[1,3,4]thiadiazole-2-thiol (CAS 68161-60-4) is a chemical compound with molecular formula C10H11N3OS2 and molecular weight 253.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-ethoxyanilino)-3H-1,3,4-thiadiazole-2-thione
Also Known As: 5-(4-Ethoxy-phenylamino)-[1,3,4]thiadiazole-2-thiol, bis(p-nitrophenyl)phosphate, 5-(4-ethoxyanilino)-3H-1,3,4-thiadiazole-2-thione, 5-[(4-ethoxyphenyl)amino]-1,3,4-thiadiazole-2-thiol, 5-[(4-ethoxyphenyl)amino]-3H-1,3,4-thiadiazole-2-thione
| Molecular Formula | C10H11N3OS2 |
|---|---|
| Molecular Weight | 253.03 g/mol |
| LogP | 3.34299 |
| Topological Polar Surface Area | 49.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 253.03435 |
| Heavy Atoms | 16 |
| Complexity | 503.28275 |
Chemical Identifiers
| CAS Number | 68161-60-4 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC2=NNC(=S)S2 |
Product Overview
5-(4-Ethoxy-phenylamino)-[1,3,4]thiadiazole-2-thiol (CAS 68161-60-4), with molecular formula C10H11N3OS2 and molecular weight 253.03 g/mol. IUPAC: 5-(4-ethoxyanilino)-3H-1,3,4-thiadiazole-2-thione.
Chemical Property Profile of 5-(4-Ethoxy-phenylamino)-[1,3,4]thiadiazole-2-thiol
Property Insights of 5-(4-Ethoxy-phenylamino)-[1,3,4]thiadiazole-2-thiol
The XLogP value of 3.34299 indicates that 5-(4-Ethoxy-phenylamino)-[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 49.94 Ų, 5-(4-Ethoxy-phenylamino)-[1,3,4]thiadiazole-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-Ethoxy-phenylamino)-[1,3,4]thiadiazole-2-thiol has 2 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 5-(4-Ethoxy-phenylamino)-[1,3,4]thiadiazole-2-thiol?
The CAS number of 5-(4-Ethoxy-phenylamino)-[1,3,4]thiadiazole-2-thiol is 68161-60-4.
What is the molecular formula of 5-(4-Ethoxy-phenylamino)-[1,3,4]thiadiazole-2-thiol?
The molecular formula of 5-(4-Ethoxy-phenylamino)-[1,3,4]thiadiazole-2-thiol is C10H11N3OS2.
What is the molecular weight of 5-(4-Ethoxy-phenylamino)-[1,3,4]thiadiazole-2-thiol?
The molecular weight of 5-(4-Ethoxy-phenylamino)-[1,3,4]thiadiazole-2-thiol is 253.03 g/mol.
Where can I buy 5-(4-Ethoxy-phenylamino)-[1,3,4]thiadiazole-2-thiol?
You can request a quote for 5-(4-Ethoxy-phenylamino)-[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-Ethoxy-phenylamino)-[1,3,4]thiadiazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Ethoxy-phenylamino)-[1,3,4]thiadiazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.