2-ethyl-5-(1H-indol-2-yl)-1,3,4-thiadiazole
TL;DR: 2-ethyl-5-(1H-indol-2-yl)-1,3,4-thiadiazole (CAS 757213-72-2) is a chemical compound with molecular formula C12H11N3S and molecular weight 229.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-5-(1H-indol-2-yl)-1,3,4-thiadiazole
Also Known As: 2-ethyl-5-(1H-indol-2-yl)-1,3,4-thiadiazole, 2-(5-ethyl-1,3,4-thiadiazol-2-yl)-1H-indole, 5-ethyl-2-indol-2-ylidene-3H-1,3,4-thiadiazole, 1H-Indole, 2-(5-ethyl-1,3,4-thiadiazol-2-yl)- (9CI)
| Molecular Formula | C12H11N3S |
|---|---|
| Molecular Weight | 229.07 g/mol |
| LogP | 3.2488 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 229.06737 |
| Heavy Atoms | 16 |
| Complexity | 590.7752 |
Chemical Identifiers
| CAS Number | 757213-72-2 |
|---|---|
| SMILES | CCC1=NN=C(S1)C2=CC3=CC=CC=C3N2 |
Product Overview
2-ethyl-5-(1H-indol-2-yl)-1,3,4-thiadiazole (CAS 757213-72-2), with molecular formula C12H11N3S and molecular weight 229.07 g/mol. IUPAC: 2-ethyl-5-(1H-indol-2-yl)-1,3,4-thiadiazole.
Chemical Property Profile of 2-ethyl-5-(1H-indol-2-yl)-1,3,4-thiadiazole
Property Insights of 2-ethyl-5-(1H-indol-2-yl)-1,3,4-thiadiazole
The XLogP value of 3.2488 indicates that 2-ethyl-5-(1H-indol-2-yl)-1,3,4-thiadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.57 Ų, 2-ethyl-5-(1H-indol-2-yl)-1,3,4-thiadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-ethyl-5-(1H-indol-2-yl)-1,3,4-thiadiazole has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-ethyl-5-(1H-indol-2-yl)-1,3,4-thiadiazole?
The CAS number of 2-ethyl-5-(1H-indol-2-yl)-1,3,4-thiadiazole is 757213-72-2.
What is the molecular formula of 2-ethyl-5-(1H-indol-2-yl)-1,3,4-thiadiazole?
The molecular formula of 2-ethyl-5-(1H-indol-2-yl)-1,3,4-thiadiazole is C12H11N3S.
What is the molecular weight of 2-ethyl-5-(1H-indol-2-yl)-1,3,4-thiadiazole?
The molecular weight of 2-ethyl-5-(1H-indol-2-yl)-1,3,4-thiadiazole is 229.07 g/mol.
Where can I buy 2-ethyl-5-(1H-indol-2-yl)-1,3,4-thiadiazole?
You can request a quote for 2-ethyl-5-(1H-indol-2-yl)-1,3,4-thiadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-ethyl-5-(1H-indol-2-yl)-1,3,4-thiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-ethyl-5-(1H-indol-2-yl)-1,3,4-thiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.