1-(2-methyl-1H-indol-3-yl)-2-((4-phenyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl)ethanone
TL;DR: 1-(2-methyl-1H-indol-3-yl)-2-((4-phenyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl)ethanone (CAS 556015-49-7) is a chemical compound with molecular formula C19H15N3OS3 and molecular weight 397.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methyl-1H-indol-3-yl)-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
Also Known As: 1-(2-methyl-1H-indol-3-yl)-2-((4-phenyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl)ethanone, 1-(2-methyl-1H-indol-3-yl)-2-((4-phenyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)thio)ethanone, 1-(2-methyl-1H-indol-3-yl)-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone, 1-(2-methyl-1H-indol-3-yl)-2-[(4-phenyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
| Molecular Formula | C19H15N3OS3 |
|---|---|
| Molecular Weight | 397.04 g/mol |
| LogP | 5.42801 |
| Topological Polar Surface Area | 50.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 397.03772 |
| Heavy Atoms | 26 |
| Complexity | 1141.7684 |
Chemical Identifiers
| CAS Number | 556015-49-7 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2N1)C(=O)CSC3=NN(C(=S)S3)C4=CC=CC=C4 |
Product Overview
1-(2-methyl-1H-indol-3-yl)-2-((4-phenyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl)ethanone (CAS 556015-49-7), with molecular formula C19H15N3OS3 and molecular weight 397.04 g/mol. IUPAC: 1-(2-methyl-1H-indol-3-yl)-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone.
Chemical Property Profile of 1-(2-methyl-1H-indol-3-yl)-2-((4-phenyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl)ethanone
Property Insights of 1-(2-methyl-1H-indol-3-yl)-2-((4-phenyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl)ethanone
The XLogP value of 5.42801 indicates that 1-(2-methyl-1H-indol-3-yl)-2-((4-phenyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.68 Ų, 1-(2-methyl-1H-indol-3-yl)-2-((4-phenyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-methyl-1H-indol-3-yl)-2-((4-phenyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl)ethanone has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(2-methyl-1H-indol-3-yl)-2-((4-phenyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl)ethanone?
The CAS number of 1-(2-methyl-1H-indol-3-yl)-2-((4-phenyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl)ethanone is 556015-49-7.
What is the molecular formula of 1-(2-methyl-1H-indol-3-yl)-2-((4-phenyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl)ethanone?
The molecular formula of 1-(2-methyl-1H-indol-3-yl)-2-((4-phenyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl)ethanone is C19H15N3OS3.
What is the molecular weight of 1-(2-methyl-1H-indol-3-yl)-2-((4-phenyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl)ethanone?
The molecular weight of 1-(2-methyl-1H-indol-3-yl)-2-((4-phenyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl)ethanone is 397.04 g/mol.
Where can I buy 1-(2-methyl-1H-indol-3-yl)-2-((4-phenyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl)ethanone?
You can request a quote for 1-(2-methyl-1H-indol-3-yl)-2-((4-phenyl-5-thioxo-4,5-dihydro-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-(2-methyl-1H-indol-3-yl)-2-((4-phenyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-methyl-1H-indol-3-yl)-2-((4-phenyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.