1-(5-chlorothiophen-2-yl)-2-(4H-1,2,4-triazol-3-ylsulfanyl)ethanone
TL;DR: 1-(5-chlorothiophen-2-yl)-2-(4H-1,2,4-triazol-3-ylsulfanyl)ethanone (CAS 1091501-42-6) is a chemical compound with molecular formula C8H6ClN3OS2 and molecular weight 258.96408 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(5-chlorothiophen-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone
Also Known As: 1-(5-chlorothiophen-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone, 1-(5-chlorothiophen-2-yl)-2-(4H-1,2,4-triazol-3-ylsulfanyl)ethanone, 2-((4H-1,2,4-triazol-3-yl)thio)-1-(5-chlorothiophen-2-yl)ethanone
Technical Specifications
| Molecular Formula | C8H6ClN3OS2 |
| Molecular Weight | 258.96408 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 258.96408 Da |
| Heavy Atoms | 15 |
| Complexity | 244.0 |
| SMILES | C1=C(SC(=C1)Cl)C(=O)CSC2=NC=NN2 |
| InChIKey | RROCPUKIBGEJMO-UHFFFAOYSA-N |
Chemical Property Profile of 1-(5-chlorothiophen-2-yl)-2-(4H-1,2,4-triazol-3-ylsulfanyl)ethanone
Property Insights of 1-(5-chlorothiophen-2-yl)-2-(4H-1,2,4-triazol-3-ylsulfanyl)ethanone
The XLogP value of 3.2 indicates that 1-(5-chlorothiophen-2-yl)-2-(4H-1,2,4-triazol-3-ylsulfanyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5-chlorothiophen-2-yl)-2-(4H-1,2,4-triazol-3-ylsulfanyl)ethanone. Following Lipinski's Rule of Five, 1-(5-chlorothiophen-2-yl)-2-(4H-1,2,4-triazol-3-ylsulfanyl)ethanone has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(5-chlorothiophen-2-yl)-2-(4H-1,2,4-triazol-3-ylsulfanyl)ethanone?
The CAS number of 1-(5-chlorothiophen-2-yl)-2-(4H-1,2,4-triazol-3-ylsulfanyl)ethanone is 1091501-42-6.
What is the molecular formula of 1-(5-chlorothiophen-2-yl)-2-(4H-1,2,4-triazol-3-ylsulfanyl)ethanone?
The molecular formula of 1-(5-chlorothiophen-2-yl)-2-(4H-1,2,4-triazol-3-ylsulfanyl)ethanone is C8H6ClN3OS2.
What is the molecular weight of 1-(5-chlorothiophen-2-yl)-2-(4H-1,2,4-triazol-3-ylsulfanyl)ethanone?
The molecular weight of 1-(5-chlorothiophen-2-yl)-2-(4H-1,2,4-triazol-3-ylsulfanyl)ethanone is 258.96408 g/mol.
Where can I buy 1-(5-chlorothiophen-2-yl)-2-(4H-1,2,4-triazol-3-ylsulfanyl)ethanone?
You can request a quote for 1-(5-chlorothiophen-2-yl)-2-(4H-1,2,4-triazol-3-ylsulfanyl)ethanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(5-chlorothiophen-2-yl)-2-(4H-1,2,4-triazol-3-ylsulfanyl)ethanone?
Yes, CoreyChem provides custom synthesis services for 1-(5-chlorothiophen-2-yl)-2-(4H-1,2,4-triazol-3-ylsulfanyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.