![5-{[2-(2,3-dimethyl-1H-indol-1-yl)-2-oxoethyl]thio}-3-phenyl-1,3,4-thiadiazole-2(3H)-thione structure](/static/products/4339/433952-45-5.webp)
5-{[2-(2,3-dimethyl-1H-indol-1-yl)-2-oxoethyl]thio}-3-phenyl-1,3,4-thiadiazole-2(3H)-thione
TL;DR: 5-{[2-(2,3-dimethyl-1H-indol-1-yl)-2-oxoethyl]thio}-3-phenyl-1,3,4-thiadiazole-2(3H)-thione (CAS 433952-45-5) is a chemical compound with molecular formula C20H17N3OS3 and molecular weight 411.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3-dimethylindol-1-yl)-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
Also Known As: 5-{[2-(2,3-dimethyl-1H-indol-1-yl)-2-oxoethyl]thio}-3-phenyl-1,3,4-thiadiazole-2(3H)-thione, 1-(2,3-dimethylindolyl)-2-(3-phenyl-2-thioxo(1,3,4-thiadiazolin-5-ylthio))etha n-1-one, 1-(2,3-dimethyl-1H-indol-1-yl)-2-((4-phenyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)thio)ethanone, 1-(2,3-DIMETHYL-1H-INDOL-1-YL)-2-[(4-PHENYL-5-SULFANYLIDENE-4,5-DIHYDRO-1,3,4-THIADIAZOL-2-YL)SULFANYL]ETHAN-1-ONE, 1-(2,3-dimethyl-1H-indol-1-yl)-2-[(4-phenyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
| Molecular Formula | C20H17N3OS3 |
|---|---|
| Molecular Weight | 411.05 g/mol |
| LogP | 5.66733 |
| Topological Polar Surface Area | 39.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 411.05338 |
| Heavy Atoms | 27 |
| Complexity | 1188.3817 |
Chemical Identifiers
| CAS Number | 433952-45-5 |
|---|---|
| SMILES | CC1=C(N(C2=CC=CC=C12)C(=O)CSC3=NN(C(=S)S3)C4=CC=CC=C4)C |
Product Overview
5-{[2-(2,3-dimethyl-1H-indol-1-yl)-2-oxoethyl]thio}-3-phenyl-1,3,4-thiadiazole-2(3H)-thione (CAS 433952-45-5), with molecular formula C20H17N3OS3 and molecular weight 411.05 g/mol. IUPAC: 1-(2,3-dimethylindol-1-yl)-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone.
Chemical Property Profile of 5-{[2-(2,3-dimethyl-1H-indol-1-yl)-2-oxoethyl]thio}-3-phenyl-1,3,4-thiadiazole-2(3H)-thione
Property Insights of 5-{[2-(2,3-dimethyl-1H-indol-1-yl)-2-oxoethyl]thio}-3-phenyl-1,3,4-thiadiazole-2(3H)-thione
The XLogP value of 5.66733 indicates that 5-{[2-(2,3-dimethyl-1H-indol-1-yl)-2-oxoethyl]thio}-3-phenyl-1,3,4-thiadiazole-2(3H)-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.82 Ų, 5-{[2-(2,3-dimethyl-1H-indol-1-yl)-2-oxoethyl]thio}-3-phenyl-1,3,4-thiadiazole-2(3H)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-{[2-(2,3-dimethyl-1H-indol-1-yl)-2-oxoethyl]thio}-3-phenyl-1,3,4-thiadiazole-2(3H)-thione has 0 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 5-{[2-(2,3-dimethyl-1H-indol-1-yl)-2-oxoethyl]thio}-3-phenyl-1,3,4-thiadiazole-2(3H)-thione?
The CAS number of 5-{[2-(2,3-dimethyl-1H-indol-1-yl)-2-oxoethyl]thio}-3-phenyl-1,3,4-thiadiazole-2(3H)-thione is 433952-45-5.
What is the molecular formula of 5-{[2-(2,3-dimethyl-1H-indol-1-yl)-2-oxoethyl]thio}-3-phenyl-1,3,4-thiadiazole-2(3H)-thione?
The molecular formula of 5-{[2-(2,3-dimethyl-1H-indol-1-yl)-2-oxoethyl]thio}-3-phenyl-1,3,4-thiadiazole-2(3H)-thione is C20H17N3OS3.
What is the molecular weight of 5-{[2-(2,3-dimethyl-1H-indol-1-yl)-2-oxoethyl]thio}-3-phenyl-1,3,4-thiadiazole-2(3H)-thione?
The molecular weight of 5-{[2-(2,3-dimethyl-1H-indol-1-yl)-2-oxoethyl]thio}-3-phenyl-1,3,4-thiadiazole-2(3H)-thione is 411.05 g/mol.
Where can I buy 5-{[2-(2,3-dimethyl-1H-indol-1-yl)-2-oxoethyl]thio}-3-phenyl-1,3,4-thiadiazole-2(3H)-thione?
You can request a quote for 5-{[2-(2,3-dimethyl-1H-indol-1-yl)-2-oxoethyl]thio}-3-phenyl-1,3,4-thiadiazole-2(3H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-{[2-(2,3-dimethyl-1H-indol-1-yl)-2-oxoethyl]thio}-3-phenyl-1,3,4-thiadiazole-2(3H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-{[2-(2,3-dimethyl-1H-indol-1-yl)-2-oxoethyl]thio}-3-phenyl-1,3,4-thiadiazole-2(3H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.