N-(4-Methoxyphenyl)-N'-(3-ME-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-YL)thiourea
TL;DR: N-(4-Methoxyphenyl)-N'-(3-ME-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-YL)thiourea (CAS 86671-69-4) is a chemical compound with molecular formula C11H13N5OS2 and molecular weight 295.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methoxyphenyl)-3-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)thiourea
Also Known As: SALOR-INT L444820-1EA, 1-(4-methoxyphenyl)-3-(3-methyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)thiourea, 1-(4-methoxyphenyl)-3-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)thiourea, 1-(4-Methoxyphenyl)-3-(3-methyl-5-thioxo-1H-1,2,4-triazol-4(5H)-yl)thiourea, 4-[[(4-Methoxyphenyl)thiocarbamoyl]amino]-5-methyl-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C11H13N5OS2 |
|---|---|
| Molecular Weight | 295.06 g/mol |
| LogP | 2.19821 |
| Topological Polar Surface Area | 66.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.05615 |
| Heavy Atoms | 19 |
| Complexity | 631.2803 |
Chemical Identifiers
| CAS Number | 86671-69-4 |
|---|---|
| SMILES | CC1=NNC(=S)N1NC(=S)NC2=CC=C(C=C2)OC |
Product Overview
N-(4-Methoxyphenyl)-N'-(3-ME-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-YL)thiourea (CAS 86671-69-4), with molecular formula C11H13N5OS2 and molecular weight 295.06 g/mol. IUPAC: 1-(4-methoxyphenyl)-3-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)thiourea.
Chemical Property Profile of N-(4-Methoxyphenyl)-N'-(3-ME-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-YL)thiourea
Property Insights of N-(4-Methoxyphenyl)-N'-(3-ME-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-YL)thiourea
The XLogP value of 2.19821 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-Methoxyphenyl)-N'-(3-ME-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-YL)thiourea. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-Methoxyphenyl)-N'-(3-ME-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-YL)thiourea. Following Lipinski's Rule of Five, N-(4-Methoxyphenyl)-N'-(3-ME-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-YL)thiourea has 3 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 N-(4-Methoxyphenyl)-N'-(3-ME-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-YL)thiourea?
The CAS number of N-(4-Methoxyphenyl)-N'-(3-ME-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-YL)thiourea is 86671-69-4.
What is the molecular formula of N-(4-Methoxyphenyl)-N'-(3-ME-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-YL)thiourea?
The molecular formula of N-(4-Methoxyphenyl)-N'-(3-ME-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-YL)thiourea is C11H13N5OS2.
What is the molecular weight of N-(4-Methoxyphenyl)-N'-(3-ME-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-YL)thiourea?
The molecular weight of N-(4-Methoxyphenyl)-N'-(3-ME-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-YL)thiourea is 295.06 g/mol.
Where can I buy N-(4-Methoxyphenyl)-N'-(3-ME-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-YL)thiourea?
You can request a quote for N-(4-Methoxyphenyl)-N'-(3-ME-5-thioxo-1,5-dihydro-4H-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 N-(4-Methoxyphenyl)-N'-(3-ME-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-YL)thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-(4-Methoxyphenyl)-N'-(3-ME-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-YL)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.