3-(4,6-diphenylpyrimidin-2-yl)-4-isopropyl-1H-1,2,4-triazole-5(4H)-thione
TL;DR: 3-(4,6-diphenylpyrimidin-2-yl)-4-isopropyl-1H-1,2,4-triazole-5(4H)-thione (CAS 60137-33-9) is a chemical compound with molecular formula C21H19N5S and molecular weight 373.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4,6-diphenylpyrimidin-2-yl)-4-propan-2-yl-1H-1,2,4-triazole-5-thione
Also Known As: 3-(4,6-diphenylpyrimidin-2-yl)-4-isopropyl-1H-1,2,4-triazole-5(4H)-thione, 3-(4,6-diphenylpyrimidin-2-yl)-4-propan-2-yl-1H-1,2,4-triazole-5-thione
| Molecular Formula | C21H19N5S |
|---|---|
| Molecular Weight | 373.14 g/mol |
| LogP | 5.31259 |
| Topological Polar Surface Area | 59.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 373.1361 |
| Heavy Atoms | 27 |
| Complexity | 1056.5344 |
Chemical Identifiers
| CAS Number | 60137-33-9 |
|---|---|
| SMILES | CC(C)N1C(=NNC1=S)C2=NC(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
3-(4,6-diphenylpyrimidin-2-yl)-4-isopropyl-1H-1,2,4-triazole-5(4H)-thione (CAS 60137-33-9), with molecular formula C21H19N5S and molecular weight 373.14 g/mol. IUPAC: 3-(4,6-diphenylpyrimidin-2-yl)-4-propan-2-yl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 3-(4,6-diphenylpyrimidin-2-yl)-4-isopropyl-1H-1,2,4-triazole-5(4H)-thione
Property Insights of 3-(4,6-diphenylpyrimidin-2-yl)-4-isopropyl-1H-1,2,4-triazole-5(4H)-thione
The XLogP value of 5.31259 indicates that 3-(4,6-diphenylpyrimidin-2-yl)-4-isopropyl-1H-1,2,4-triazole-5(4H)-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.39 Ų, 3-(4,6-diphenylpyrimidin-2-yl)-4-isopropyl-1H-1,2,4-triazole-5(4H)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4,6-diphenylpyrimidin-2-yl)-4-isopropyl-1H-1,2,4-triazole-5(4H)-thione has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(4,6-diphenylpyrimidin-2-yl)-4-isopropyl-1H-1,2,4-triazole-5(4H)-thione?
The CAS number of 3-(4,6-diphenylpyrimidin-2-yl)-4-isopropyl-1H-1,2,4-triazole-5(4H)-thione is 60137-33-9.
What is the molecular formula of 3-(4,6-diphenylpyrimidin-2-yl)-4-isopropyl-1H-1,2,4-triazole-5(4H)-thione?
The molecular formula of 3-(4,6-diphenylpyrimidin-2-yl)-4-isopropyl-1H-1,2,4-triazole-5(4H)-thione is C21H19N5S.
What is the molecular weight of 3-(4,6-diphenylpyrimidin-2-yl)-4-isopropyl-1H-1,2,4-triazole-5(4H)-thione?
The molecular weight of 3-(4,6-diphenylpyrimidin-2-yl)-4-isopropyl-1H-1,2,4-triazole-5(4H)-thione is 373.14 g/mol.
Where can I buy 3-(4,6-diphenylpyrimidin-2-yl)-4-isopropyl-1H-1,2,4-triazole-5(4H)-thione?
You can request a quote for 3-(4,6-diphenylpyrimidin-2-yl)-4-isopropyl-1H-1,2,4-triazole-5(4H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4,6-diphenylpyrimidin-2-yl)-4-isopropyl-1H-1,2,4-triazole-5(4H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-(4,6-diphenylpyrimidin-2-yl)-4-isopropyl-1H-1,2,4-triazole-5(4H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.