![2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-1-(2,3-dimethyl-1H-indol-1-yl)ethanone structure](/static/products/6449/644959-81-9.webp)
2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-1-(2,3-dimethyl-1H-indol-1-yl)ethanone
TL;DR: 2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-1-(2,3-dimethyl-1H-indol-1-yl)ethanone (CAS 644959-81-9) is a chemical compound with molecular formula C21H18ClN3OS3 and molecular weight 459.03 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-(2,3-dimethylindol-1-yl)ethanone
Also Known As: 2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-1-(2,3-dimethyl-1H-indol-1-yl)ethanone, 1-(2,3-dimethylindolyl)-2-{5-[(4-chlorophenyl)methylthio](1,3,4-thiadiazol-2-y lthio)}ethan-1-one, 2-((5-((4-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-1-(2,3-dimethyl-1H-indol-1-yl)ethanone, 2-[(5-{[(4-CHLOROPHENYL)METHYL]SULFANYL}-1,3,4-THIADIAZOL-2-YL)SULFANYL]-1-(2,3-DIMETHYL-1H-INDOL-1-YL)ETHAN-1-ONE, 2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(2,3-dimethylindol-1-yl)ethanone
| Molecular Formula | C21H18ClN3OS3 |
|---|---|
| Molecular Weight | 459.03 g/mol |
| LogP | 6.48784 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 459.03006 |
| Heavy Atoms | 29 |
| Complexity | 1167.8546 |
Chemical Identifiers
| CAS Number | 644959-81-9 |
|---|---|
| SMILES | CC1=C(N(C2=CC=CC=C12)C(=O)CSC3=NN=C(S3)SCC4=CC=C(C=C4)Cl)C |
Product Overview
2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-1-(2,3-dimethyl-1H-indol-1-yl)ethanone (CAS 644959-81-9), with molecular formula C21H18ClN3OS3 and molecular weight 459.03 g/mol. IUPAC: 2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(2,3-dimethylindol-1-yl)ethanone.
Chemical Property Profile of 2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-1-(2,3-dimethyl-1H-indol-1-yl)ethanone
Property Insights of 2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-1-(2,3-dimethyl-1H-indol-1-yl)ethanone
The XLogP value of 6.48784 indicates that 2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-1-(2,3-dimethyl-1H-indol-1-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.78 Ų, 2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-1-(2,3-dimethyl-1H-indol-1-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-1-(2,3-dimethyl-1H-indol-1-yl)ethanone has 0 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-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-1-(2,3-dimethyl-1H-indol-1-yl)ethanone?
The CAS number of 2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-1-(2,3-dimethyl-1H-indol-1-yl)ethanone is 644959-81-9.
What is the molecular formula of 2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-1-(2,3-dimethyl-1H-indol-1-yl)ethanone?
The molecular formula of 2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-1-(2,3-dimethyl-1H-indol-1-yl)ethanone is C21H18ClN3OS3.
What is the molecular weight of 2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-1-(2,3-dimethyl-1H-indol-1-yl)ethanone?
The molecular weight of 2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-1-(2,3-dimethyl-1H-indol-1-yl)ethanone is 459.03 g/mol.
Where can I buy 2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-1-(2,3-dimethyl-1H-indol-1-yl)ethanone?
You can request a quote for 2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-1-(2,3-dimethyl-1H-indol-1-yl)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-(2,3-dimethyl-1H-indol-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-1-(2,3-dimethyl-1H-indol-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.