![1-(1,3-benzodioxol-5-yl)-2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)ethanone structure](/static/products/4991/499101-70-1.webp)
1-(1,3-benzodioxol-5-yl)-2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)ethanone
TL;DR: 1-(1,3-benzodioxol-5-yl)-2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)ethanone (CAS 499101-70-1) is a chemical compound with molecular formula C18H13ClN2O3S3 and molecular weight 435.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)-2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
Also Known As: 1-(1,3-benzodioxol-5-yl)-2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)ethanone, 1-(1,3-benzodioxol-5-yl)-2-({5-[(4-chlorobenzyl)thio]-1,3,4-thiadiazol-2-yl}thio)ethanone, 1-(1,3-benzodioxol-5-yl)-2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone, 1-(2H-1,3-benzodioxol-5-yl)-2-[(5-{[(4-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)sulfanyl]ethan-1-one, 1-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-2-{5-[(4-chlorophenyl)methylthio](1,3,4-t hiadiazol-2-ylthio)}ethan-1-one
| Molecular Formula | C18H13ClN2O3S3 |
|---|---|
| Molecular Weight | 435.98 g/mol |
| LogP | 5.1875 |
| Topological Polar Surface Area | 61.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 435.9777 |
| Heavy Atoms | 27 |
| Complexity | 962.74066 |
Chemical Identifiers
| CAS Number | 499101-70-1 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(=O)CSC3=NN=C(S3)SCC4=CC=C(C=C4)Cl |
Product Overview
1-(1,3-benzodioxol-5-yl)-2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)ethanone (CAS 499101-70-1), with molecular formula C18H13ClN2O3S3 and molecular weight 435.98 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone.
Chemical Property Profile of 1-(1,3-benzodioxol-5-yl)-2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)ethanone
Property Insights of 1-(1,3-benzodioxol-5-yl)-2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)ethanone
The XLogP value of 5.1875 indicates that 1-(1,3-benzodioxol-5-yl)-2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)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 1-(1,3-benzodioxol-5-yl)-2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)ethanone. Following Lipinski's Rule of Five, 1-(1,3-benzodioxol-5-yl)-2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)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 1-(1,3-benzodioxol-5-yl)-2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)ethanone?
The CAS number of 1-(1,3-benzodioxol-5-yl)-2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)ethanone is 499101-70-1.
What is the molecular formula of 1-(1,3-benzodioxol-5-yl)-2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)ethanone?
The molecular formula of 1-(1,3-benzodioxol-5-yl)-2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)ethanone is C18H13ClN2O3S3.
What is the molecular weight of 1-(1,3-benzodioxol-5-yl)-2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)ethanone?
The molecular weight of 1-(1,3-benzodioxol-5-yl)-2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)ethanone is 435.98 g/mol.
Where can I buy 1-(1,3-benzodioxol-5-yl)-2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)ethanone?
You can request a quote for 1-(1,3-benzodioxol-5-yl)-2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,3-benzodioxol-5-yl)-2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-benzodioxol-5-yl)-2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.