![Methyl ({5-[(4-chlorobenzyl)thio]-1,3,4-thiadiazol-2-yl}thio)acetate structure](/static/products/4503/450353-57-8.webp)
Methyl ({5-[(4-chlorobenzyl)thio]-1,3,4-thiadiazol-2-yl}thio)acetate
TL;DR: Methyl ({5-[(4-chlorobenzyl)thio]-1,3,4-thiadiazol-2-yl}thio)acetate (CAS 450353-57-8) is a chemical compound with molecular formula C12H11ClN2O2S3 and molecular weight 345.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
Also Known As: IFLab1_003850, IDI1_009957, methyl ({5-[(4-chlorobenzyl)thio]-1,3,4-thiadiazol-2-yl}thio)acetate, methyl 2-((5-((4-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetate, [5-(4-Chloro-benzylsulfanyl)-[1,3,4]thiadiazol-2-ylsulfanyl]-acetic acid methyl ester
| Molecular Formula | C12H11ClN2O2S3 |
|---|---|
| Molecular Weight | 345.97 g/mol |
| LogP | 3.7489 |
| Topological Polar Surface Area | 52.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 345.96713 |
| Heavy Atoms | 20 |
| Complexity | 574.33636 |
Chemical Identifiers
| CAS Number | 450353-57-8 |
|---|---|
| SMILES | COC(=O)CSC1=NN=C(S1)SCC2=CC=C(C=C2)Cl |
Product Overview
Methyl ({5-[(4-chlorobenzyl)thio]-1,3,4-thiadiazol-2-yl}thio)acetate (CAS 450353-57-8), with molecular formula C12H11ClN2O2S3 and molecular weight 345.97 g/mol. IUPAC: methyl 2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate.
Chemical Property Profile of Methyl ({5-[(4-chlorobenzyl)thio]-1,3,4-thiadiazol-2-yl}thio)acetate
Property Insights of Methyl ({5-[(4-chlorobenzyl)thio]-1,3,4-thiadiazol-2-yl}thio)acetate
The XLogP value of 3.7489 indicates that Methyl ({5-[(4-chlorobenzyl)thio]-1,3,4-thiadiazol-2-yl}thio)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.08 Ų, Methyl ({5-[(4-chlorobenzyl)thio]-1,3,4-thiadiazol-2-yl}thio)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl ({5-[(4-chlorobenzyl)thio]-1,3,4-thiadiazol-2-yl}thio)acetate has 0 hydrogen bond donor(s) and 7 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 Methyl ({5-[(4-chlorobenzyl)thio]-1,3,4-thiadiazol-2-yl}thio)acetate?
The CAS number of Methyl ({5-[(4-chlorobenzyl)thio]-1,3,4-thiadiazol-2-yl}thio)acetate is 450353-57-8.
What is the molecular formula of Methyl ({5-[(4-chlorobenzyl)thio]-1,3,4-thiadiazol-2-yl}thio)acetate?
The molecular formula of Methyl ({5-[(4-chlorobenzyl)thio]-1,3,4-thiadiazol-2-yl}thio)acetate is C12H11ClN2O2S3.
What is the molecular weight of Methyl ({5-[(4-chlorobenzyl)thio]-1,3,4-thiadiazol-2-yl}thio)acetate?
The molecular weight of Methyl ({5-[(4-chlorobenzyl)thio]-1,3,4-thiadiazol-2-yl}thio)acetate is 345.97 g/mol.
Where can I buy Methyl ({5-[(4-chlorobenzyl)thio]-1,3,4-thiadiazol-2-yl}thio)acetate?
You can request a quote for Methyl ({5-[(4-chlorobenzyl)thio]-1,3,4-thiadiazol-2-yl}thio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl ({5-[(4-chlorobenzyl)thio]-1,3,4-thiadiazol-2-yl}thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl ({5-[(4-chlorobenzyl)thio]-1,3,4-thiadiazol-2-yl}thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.