![5-[4-(dimethylamino)phenyl]-4-ethyl-4H-1,2,4-triazole-3-thiol structure](/static/products/7247/724749-06-8.webp)
5-[4-(dimethylamino)phenyl]-4-ethyl-4H-1,2,4-triazole-3-thiol
TL;DR: 5-[4-(dimethylamino)phenyl]-4-ethyl-4H-1,2,4-triazole-3-thiol (CAS 724749-06-8) is a chemical compound with molecular formula C12H16N4S and molecular weight 248.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(dimethylamino)phenyl]-4-ethyl-1H-1,2,4-triazole-5-thione
Also Known As: 5-[4-(dimethylamino)phenyl]-4-ethyl-4H-1,2,4-triazole-3-thiol, 8726AE, 3-[4-(dimethylamino)phenyl]-4-ethyl-1H-1,2,4-triazole-5-thione, Y-1159, 5-(4-(Dimethylamino)phenyl)-4-ethyl-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C12H16N4S |
|---|---|
| Molecular Weight | 248.11 g/mol |
| LogP | 2.69359 |
| Topological Polar Surface Area | 36.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.10957 |
| Heavy Atoms | 17 |
| Complexity | 550.62976 |
Chemical Identifiers
| CAS Number | 724749-06-8 |
|---|---|
| SMILES | CCN1C(=NNC1=S)C2=CC=C(C=C2)N(C)C |
Product Overview
5-[4-(dimethylamino)phenyl]-4-ethyl-4H-1,2,4-triazole-3-thiol (CAS 724749-06-8), with molecular formula C12H16N4S and molecular weight 248.11 g/mol. IUPAC: 3-[4-(dimethylamino)phenyl]-4-ethyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-[4-(dimethylamino)phenyl]-4-ethyl-4H-1,2,4-triazole-3-thiol
Property Insights of 5-[4-(dimethylamino)phenyl]-4-ethyl-4H-1,2,4-triazole-3-thiol
The XLogP value of 2.69359 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[4-(dimethylamino)phenyl]-4-ethyl-4H-1,2,4-triazole-3-thiol. With a topological polar surface area (TPSA) of 36.85 Ų, 5-[4-(dimethylamino)phenyl]-4-ethyl-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[4-(dimethylamino)phenyl]-4-ethyl-4H-1,2,4-triazole-3-thiol 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 5-[4-(dimethylamino)phenyl]-4-ethyl-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-[4-(dimethylamino)phenyl]-4-ethyl-4H-1,2,4-triazole-3-thiol is 724749-06-8.
What is the molecular formula of 5-[4-(dimethylamino)phenyl]-4-ethyl-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-[4-(dimethylamino)phenyl]-4-ethyl-4H-1,2,4-triazole-3-thiol is C12H16N4S.
What is the molecular weight of 5-[4-(dimethylamino)phenyl]-4-ethyl-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-[4-(dimethylamino)phenyl]-4-ethyl-4H-1,2,4-triazole-3-thiol is 248.11 g/mol.
Where can I buy 5-[4-(dimethylamino)phenyl]-4-ethyl-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-[4-(dimethylamino)phenyl]-4-ethyl-4H-1,2,4-triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[4-(dimethylamino)phenyl]-4-ethyl-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-[4-(dimethylamino)phenyl]-4-ethyl-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.