1H-1,2,4-Triazole-3-thiol, 5-((p-ethylsulfonyl)phenyl)-
TL;DR: 1H-1,2,4-Triazole-3-thiol, 5-((p-ethylsulfonyl)phenyl)- (CAS 4922-58-1) is a chemical compound with molecular formula C10H11N3O2S2 and molecular weight 269.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-ethylsulfonylphenyl)-1,2-dihydro-1,2,4-triazole-3-thione
Also Known As: 1-Benzoyl-3-pyridin-2-yl-thiourea, 1H-1,2,4-Triazole-3-thiol, 5-((p-ethylsulfonyl)phenyl)-, 5-((p-Ethylsulfonyl)phenyl)-1H-1,2,4-triazole-3-thiol, 5-(4-ethylsulfonylphenyl)-1,2-dihydro-1,2,4-triazole-3-thione, s-Triazole-3-thiol, 5-[p-(ethylsulfonyl)phenyl]-
| Molecular Formula | C10H11N3O2S2 |
|---|---|
| Molecular Weight | 269.03 g/mol |
| LogP | 1.92789 |
| Topological Polar Surface Area | 78.61 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.02927 |
| Heavy Atoms | 17 |
| Complexity | 668.0766 |
Chemical Identifiers
| CAS Number | 4922-58-1 |
|---|---|
| SMILES | CCS(=O)(=O)C1=CC=C(C=C1)C2=NC(=S)NN2 |
Product Overview
1H-1,2,4-Triazole-3-thiol, 5-((p-ethylsulfonyl)phenyl)- (CAS 4922-58-1), with molecular formula C10H11N3O2S2 and molecular weight 269.03 g/mol. IUPAC: 5-(4-ethylsulfonylphenyl)-1,2-dihydro-1,2,4-triazole-3-thione.
Chemical Property Profile of 1H-1,2,4-Triazole-3-thiol, 5-((p-ethylsulfonyl)phenyl)-
Property Insights of 1H-1,2,4-Triazole-3-thiol, 5-((p-ethylsulfonyl)phenyl)-
The XLogP value of 1.92789 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,2,4-Triazole-3-thiol, 5-((p-ethylsulfonyl)phenyl)-. The TPSA of 78.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-1,2,4-Triazole-3-thiol, 5-((p-ethylsulfonyl)phenyl)-. Following Lipinski's Rule of Five, 1H-1,2,4-Triazole-3-thiol, 5-((p-ethylsulfonyl)phenyl)- has 2 hydrogen bond donor(s) and 4 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 1H-1,2,4-Triazole-3-thiol, 5-((p-ethylsulfonyl)phenyl)-?
The CAS number of 1H-1,2,4-Triazole-3-thiol, 5-((p-ethylsulfonyl)phenyl)- is 4922-58-1.
What is the molecular formula of 1H-1,2,4-Triazole-3-thiol, 5-((p-ethylsulfonyl)phenyl)-?
The molecular formula of 1H-1,2,4-Triazole-3-thiol, 5-((p-ethylsulfonyl)phenyl)- is C10H11N3O2S2.
What is the molecular weight of 1H-1,2,4-Triazole-3-thiol, 5-((p-ethylsulfonyl)phenyl)-?
The molecular weight of 1H-1,2,4-Triazole-3-thiol, 5-((p-ethylsulfonyl)phenyl)- is 269.03 g/mol.
Where can I buy 1H-1,2,4-Triazole-3-thiol, 5-((p-ethylsulfonyl)phenyl)-?
You can request a quote for 1H-1,2,4-Triazole-3-thiol, 5-((p-ethylsulfonyl)phenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-1,2,4-Triazole-3-thiol, 5-((p-ethylsulfonyl)phenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,2,4-Triazole-3-thiol, 5-((p-ethylsulfonyl)phenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.