![2-[5-(3-Chlorobenzylthio)-1,3,4-thiadiazol-2-ylthio]-N-phenylacetamide structure](/static/products/4947/494763-23-4.webp)
2-[5-(3-Chlorobenzylthio)-1,3,4-thiadiazol-2-ylthio]-N-phenylacetamide
TL;DR: 2-[5-(3-Chlorobenzylthio)-1,3,4-thiadiazol-2-ylthio]-N-phenylacetamide (CAS 494763-23-4) is a chemical compound with molecular formula C17H14ClN3OS3 and molecular weight 407.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(3-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylacetamide
Also Known As: 2-[5-(3-Chlorobenzylthio)-1,3,4-thiadiazol-2-ylthio]-N-phenylacetamide, 2-((5-((3-Chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-N-phenylacetamide, 2-[[5-[(3-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylacetamide, AI-067/31571005, Acetamide,2-[[5-[[(3-chlorophenyl)methyl]thio]-1,3,4-thiadiazol-2-yl]thio]-N-phenyl-
| Molecular Formula | C17H14ClN3OS3 |
|---|---|
| Molecular Weight | 407.00 g/mol |
| LogP | 5.2146 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 406.99875 |
| Heavy Atoms | 25 |
| Complexity | 841.9192 |
Chemical Identifiers
| CAS Number | 494763-23-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)SCC3=CC(=CC=C3)Cl |
Product Overview
2-[5-(3-Chlorobenzylthio)-1,3,4-thiadiazol-2-ylthio]-N-phenylacetamide (CAS 494763-23-4), with molecular formula C17H14ClN3OS3 and molecular weight 407.00 g/mol. IUPAC: 2-[[5-[(3-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylacetamide.
Chemical Property Profile of 2-[5-(3-Chlorobenzylthio)-1,3,4-thiadiazol-2-ylthio]-N-phenylacetamide
Property Insights of 2-[5-(3-Chlorobenzylthio)-1,3,4-thiadiazol-2-ylthio]-N-phenylacetamide
The XLogP value of 5.2146 indicates that 2-[5-(3-Chlorobenzylthio)-1,3,4-thiadiazol-2-ylthio]-N-phenylacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, 2-[5-(3-Chlorobenzylthio)-1,3,4-thiadiazol-2-ylthio]-N-phenylacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[5-(3-Chlorobenzylthio)-1,3,4-thiadiazol-2-ylthio]-N-phenylacetamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[5-(3-Chlorobenzylthio)-1,3,4-thiadiazol-2-ylthio]-N-phenylacetamide?
The CAS number of 2-[5-(3-Chlorobenzylthio)-1,3,4-thiadiazol-2-ylthio]-N-phenylacetamide is 494763-23-4.
What is the molecular formula of 2-[5-(3-Chlorobenzylthio)-1,3,4-thiadiazol-2-ylthio]-N-phenylacetamide?
The molecular formula of 2-[5-(3-Chlorobenzylthio)-1,3,4-thiadiazol-2-ylthio]-N-phenylacetamide is C17H14ClN3OS3.
What is the molecular weight of 2-[5-(3-Chlorobenzylthio)-1,3,4-thiadiazol-2-ylthio]-N-phenylacetamide?
The molecular weight of 2-[5-(3-Chlorobenzylthio)-1,3,4-thiadiazol-2-ylthio]-N-phenylacetamide is 407.00 g/mol.
Where can I buy 2-[5-(3-Chlorobenzylthio)-1,3,4-thiadiazol-2-ylthio]-N-phenylacetamide?
You can request a quote for 2-[5-(3-Chlorobenzylthio)-1,3,4-thiadiazol-2-ylthio]-N-phenylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[5-(3-Chlorobenzylthio)-1,3,4-thiadiazol-2-ylthio]-N-phenylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[5-(3-Chlorobenzylthio)-1,3,4-thiadiazol-2-ylthio]-N-phenylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.