1-(4-Methoxyphenyl)-3-(1,2,4-triazol-4-yl)thiourea
TL;DR: 1-(4-Methoxyphenyl)-3-(1,2,4-triazol-4-yl)thiourea (CAS 5102-37-4) is a chemical compound with molecular formula C10H11N5OS and molecular weight 249.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methoxyphenyl)-3-(1,2,4-triazol-4-yl)thiourea
Also Known As: N-(4-Methoxyphenyl)-N'-4H-1,2,4-triazol-4-ylthiourea, 1-(4-methoxyphenyl)-3-(1,2,4-triazol-4-yl)thiourea, 1-(4-methoxyphenyl)-3-(4H-1,2,4-triazol-4-yl)thiourea, Thiourea, N-(4-methoxyphenyl)-N'-4H-1,2,4-triazol-4-yl-, F1967-1154
| Molecular Formula | C10H11N5OS |
|---|---|
| Molecular Weight | 249.07 g/mol |
| LogP | 1.2272 |
| Topological Polar Surface Area | 64.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.06844 |
| Heavy Atoms | 17 |
| Complexity | 481.9072 |
Chemical Identifiers
| CAS Number | 5102-37-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=S)NN2C=NN=C2 |
Product Overview
1-(4-Methoxyphenyl)-3-(1,2,4-triazol-4-yl)thiourea (CAS 5102-37-4), with molecular formula C10H11N5OS and molecular weight 249.07 g/mol. IUPAC: 1-(4-methoxyphenyl)-3-(1,2,4-triazol-4-yl)thiourea.
Chemical Property Profile of 1-(4-Methoxyphenyl)-3-(1,2,4-triazol-4-yl)thiourea
Property Insights of 1-(4-Methoxyphenyl)-3-(1,2,4-triazol-4-yl)thiourea
The XLogP value of 1.2272 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Methoxyphenyl)-3-(1,2,4-triazol-4-yl)thiourea. The TPSA of 64.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Methoxyphenyl)-3-(1,2,4-triazol-4-yl)thiourea. Following Lipinski's Rule of Five, 1-(4-Methoxyphenyl)-3-(1,2,4-triazol-4-yl)thiourea 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 1-(4-Methoxyphenyl)-3-(1,2,4-triazol-4-yl)thiourea?
The CAS number of 1-(4-Methoxyphenyl)-3-(1,2,4-triazol-4-yl)thiourea is 5102-37-4.
What is the molecular formula of 1-(4-Methoxyphenyl)-3-(1,2,4-triazol-4-yl)thiourea?
The molecular formula of 1-(4-Methoxyphenyl)-3-(1,2,4-triazol-4-yl)thiourea is C10H11N5OS.
What is the molecular weight of 1-(4-Methoxyphenyl)-3-(1,2,4-triazol-4-yl)thiourea?
The molecular weight of 1-(4-Methoxyphenyl)-3-(1,2,4-triazol-4-yl)thiourea is 249.07 g/mol.
Where can I buy 1-(4-Methoxyphenyl)-3-(1,2,4-triazol-4-yl)thiourea?
You can request a quote for 1-(4-Methoxyphenyl)-3-(1,2,4-triazol-4-yl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Methoxyphenyl)-3-(1,2,4-triazol-4-yl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methoxyphenyl)-3-(1,2,4-triazol-4-yl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.