![2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-1-(3,4-dimethoxyphenyl)ethanone structure](/static/products/499/499101-68-7.png)
2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-1-(3,4-dimethoxyphenyl)ethanone
TL;DR: 2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-1-(3,4-dimethoxyphenyl)ethanone (CAS 499101-68-7) is a chemical compound with molecular formula C19H17ClN2O3S3 and molecular weight 452.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone
Also Known As: 2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-1-(3,4-dimethoxyphenyl)ethanone, 2-((5-((4-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-1-(3,4-dimethoxyphenyl)ethanone, 2-[(5-{[(4-CHLOROPHENYL)METHYL]SULFANYL}-1,3,4-THIADIAZOL-2-YL)SULFANYL]-1-(3,4-DIMETHOXYPHENYL)ETHANONE, 2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone
| Molecular Formula | C19H17ClN2O3S3 |
|---|---|
| Molecular Weight | 452.01 g/mol |
| LogP | 5.476 |
| Topological Polar Surface Area | 61.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 452.00897 |
| Heavy Atoms | 28 |
| Complexity | 947.85187 |
Chemical Identifiers
| CAS Number | 499101-68-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)CSC2=NN=C(S2)SCC3=CC=C(C=C3)Cl)OC |
Product Overview
2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-1-(3,4-dimethoxyphenyl)ethanone (CAS 499101-68-7), with molecular formula C19H17ClN2O3S3 and molecular weight 452.01 g/mol. IUPAC: 2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone.
Chemical Property Profile of 2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-1-(3,4-dimethoxyphenyl)ethanone
Property Insights of 2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-1-(3,4-dimethoxyphenyl)ethanone
The XLogP value of 5.476 indicates that 2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-1-(3,4-dimethoxyphenyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-1-(3,4-dimethoxyphenyl)ethanone. Following Lipinski's Rule of Five, 2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-1-(3,4-dimethoxyphenyl)ethanone has 0 hydrogen bond donor(s) and 8 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-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-1-(3,4-dimethoxyphenyl)ethanone?
The CAS number of 2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-1-(3,4-dimethoxyphenyl)ethanone is 499101-68-7.
What is the molecular formula of 2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-1-(3,4-dimethoxyphenyl)ethanone?
The molecular formula of 2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-1-(3,4-dimethoxyphenyl)ethanone is C19H17ClN2O3S3.
What is the molecular weight of 2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-1-(3,4-dimethoxyphenyl)ethanone?
The molecular weight of 2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-1-(3,4-dimethoxyphenyl)ethanone is 452.01 g/mol.
Where can I buy 2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-1-(3,4-dimethoxyphenyl)ethanone?
You can request a quote for 2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-1-(3,4-dimethoxyphenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-1-(3,4-dimethoxyphenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-1-(3,4-dimethoxyphenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.