![5-[1-(dimethylamino)ethyl]-4-phenyl-4H-1,2,4-triazole-3-thiol structure](/static/products/7505/750599-29-2.webp)
5-[1-(dimethylamino)ethyl]-4-phenyl-4H-1,2,4-triazole-3-thiol
TL;DR: 5-[1-(dimethylamino)ethyl]-4-phenyl-4H-1,2,4-triazole-3-thiol (CAS 750599-29-2) 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-[1-(dimethylamino)ethyl]-4-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: 5-[1-(dimethylamino)ethyl]-4-phenyl-4H-1,2,4-triazole-3-thiol, 3-[1-(dimethylamino)ethyl]-4-phenyl-1H-1,2,4-triazole-5-thione, 5-(1-(Dimethylamino)ethyl)-4-phenyl-4h-1,2,4-triazole-3-thiol, 5-1-(dimethylamino)ethyl-4-phenyl-4H-1,2,4-triazole-3-thiol, 5-(1-dimethylaminoethyl)-4-phenyl-2H-1,2,4-triazole-3-thione
| Molecular Formula | C12H16N4S |
|---|---|
| Molecular Weight | 248.11 g/mol |
| LogP | 2.55249 |
| 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 | 541.1333 |
Chemical Identifiers
| CAS Number | 750599-29-2 |
|---|---|
| SMILES | CC(C1=NNC(=S)N1C2=CC=CC=C2)N(C)C |
Product Overview
5-[1-(dimethylamino)ethyl]-4-phenyl-4H-1,2,4-triazole-3-thiol (CAS 750599-29-2), with molecular formula C12H16N4S and molecular weight 248.11 g/mol. IUPAC: 3-[1-(dimethylamino)ethyl]-4-phenyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-[1-(dimethylamino)ethyl]-4-phenyl-4H-1,2,4-triazole-3-thiol
Property Insights of 5-[1-(dimethylamino)ethyl]-4-phenyl-4H-1,2,4-triazole-3-thiol
The XLogP value of 2.55249 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[1-(dimethylamino)ethyl]-4-phenyl-4H-1,2,4-triazole-3-thiol. With a topological polar surface area (TPSA) of 36.85 Ų, 5-[1-(dimethylamino)ethyl]-4-phenyl-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[1-(dimethylamino)ethyl]-4-phenyl-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-[1-(dimethylamino)ethyl]-4-phenyl-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-[1-(dimethylamino)ethyl]-4-phenyl-4H-1,2,4-triazole-3-thiol is 750599-29-2.
What is the molecular formula of 5-[1-(dimethylamino)ethyl]-4-phenyl-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-[1-(dimethylamino)ethyl]-4-phenyl-4H-1,2,4-triazole-3-thiol is C12H16N4S.
What is the molecular weight of 5-[1-(dimethylamino)ethyl]-4-phenyl-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-[1-(dimethylamino)ethyl]-4-phenyl-4H-1,2,4-triazole-3-thiol is 248.11 g/mol.
Where can I buy 5-[1-(dimethylamino)ethyl]-4-phenyl-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-[1-(dimethylamino)ethyl]-4-phenyl-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-[1-(dimethylamino)ethyl]-4-phenyl-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-[1-(dimethylamino)ethyl]-4-phenyl-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.