2,4-Dihydro-5-methyl-2-(4-morpholinylmethyl)-4-phenyl-3H-1,2,4-triazole-3-thione
TL;DR: 2,4-Dihydro-5-methyl-2-(4-morpholinylmethyl)-4-phenyl-3H-1,2,4-triazole-3-thione (CAS 6112-75-0) is a chemical compound with molecular formula C14H18N4OS and molecular weight 290.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione
Also Known As: 5-methyl-2-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione, 2,4-Dihydro-5-methyl-2-(4-morpholinylmethyl)-4-phenyl-3H-1,2,4-triazole-3-thione, 5-Methyl-2-[(morpholin-4-yl)methyl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C14H18N4OS |
|---|---|
| Molecular Weight | 290.12 g/mol |
| LogP | 2.00141 |
| Topological Polar Surface Area | 35.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 290.12012 |
| Heavy Atoms | 20 |
| Complexity | 628.3686 |
Chemical Identifiers
| CAS Number | 6112-75-0 |
|---|---|
| SMILES | CC1=NN(C(=S)N1C2=CC=CC=C2)CN3CCOCC3 |
Product Overview
2,4-Dihydro-5-methyl-2-(4-morpholinylmethyl)-4-phenyl-3H-1,2,4-triazole-3-thione (CAS 6112-75-0), with molecular formula C14H18N4OS and molecular weight 290.12 g/mol. IUPAC: 5-methyl-2-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione.
Chemical Property Profile of 2,4-Dihydro-5-methyl-2-(4-morpholinylmethyl)-4-phenyl-3H-1,2,4-triazole-3-thione
Property Insights of 2,4-Dihydro-5-methyl-2-(4-morpholinylmethyl)-4-phenyl-3H-1,2,4-triazole-3-thione
The XLogP value of 2.00141 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dihydro-5-methyl-2-(4-morpholinylmethyl)-4-phenyl-3H-1,2,4-triazole-3-thione. With a topological polar surface area (TPSA) of 35.22 Ų, 2,4-Dihydro-5-methyl-2-(4-morpholinylmethyl)-4-phenyl-3H-1,2,4-triazole-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dihydro-5-methyl-2-(4-morpholinylmethyl)-4-phenyl-3H-1,2,4-triazole-3-thione has 0 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 2,4-Dihydro-5-methyl-2-(4-morpholinylmethyl)-4-phenyl-3H-1,2,4-triazole-3-thione?
The CAS number of 2,4-Dihydro-5-methyl-2-(4-morpholinylmethyl)-4-phenyl-3H-1,2,4-triazole-3-thione is 6112-75-0.
What is the molecular formula of 2,4-Dihydro-5-methyl-2-(4-morpholinylmethyl)-4-phenyl-3H-1,2,4-triazole-3-thione?
The molecular formula of 2,4-Dihydro-5-methyl-2-(4-morpholinylmethyl)-4-phenyl-3H-1,2,4-triazole-3-thione is C14H18N4OS.
What is the molecular weight of 2,4-Dihydro-5-methyl-2-(4-morpholinylmethyl)-4-phenyl-3H-1,2,4-triazole-3-thione?
The molecular weight of 2,4-Dihydro-5-methyl-2-(4-morpholinylmethyl)-4-phenyl-3H-1,2,4-triazole-3-thione is 290.12 g/mol.
Where can I buy 2,4-Dihydro-5-methyl-2-(4-morpholinylmethyl)-4-phenyl-3H-1,2,4-triazole-3-thione?
You can request a quote for 2,4-Dihydro-5-methyl-2-(4-morpholinylmethyl)-4-phenyl-3H-1,2,4-triazole-3-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dihydro-5-methyl-2-(4-morpholinylmethyl)-4-phenyl-3H-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dihydro-5-methyl-2-(4-morpholinylmethyl)-4-phenyl-3H-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.