![4-[[(4-Methoxyphenyl)thiocarbamoyl]amino]-5-ethyl-4H-1,2,4-triazole-3-thiol structure](/static/products/1165/116508-99-7.webp)
4-[[(4-Methoxyphenyl)thiocarbamoyl]amino]-5-ethyl-4H-1,2,4-triazole-3-thiol
TL;DR: 4-[[(4-Methoxyphenyl)thiocarbamoyl]amino]-5-ethyl-4H-1,2,4-triazole-3-thiol (CAS 116508-99-7) is a chemical compound with molecular formula C12H15N5OS2 and molecular weight 309.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-3-(4-methoxyphenyl)thiourea
Also Known As: 4-[[(4-Methoxyphenyl)thiocarbamoyl]amino]-5-ethyl-4H-1,2,4-triazole-3-thiol, 1-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-3-(4-methoxyphenyl)thiourea, 3-(3-ethyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)-1-(4-methoxyphenyl)thiourea, N-(3-Ethyl-1,5-dihydro-5-thioxo-4H-1,2,4-triazol-4-yl)-Na(2)-(4-methoxyphenyl)thiourea, N-(3-Ethyl-5-sulfanylidene-1,5-dihydro-4H-1,2,4-triazol-4-yl)-N'-(4-methoxyphenyl)thiourea
| Molecular Formula | C12H15N5OS2 |
|---|---|
| Molecular Weight | 309.07 g/mol |
| LogP | 2.45219 |
| Topological Polar Surface Area | 66.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 309.0718 |
| Heavy Atoms | 20 |
| Complexity | 646.6124 |
Chemical Identifiers
| CAS Number | 116508-99-7 |
|---|---|
| SMILES | CCC1=NNC(=S)N1NC(=S)NC2=CC=C(C=C2)OC |
Product Overview
4-[[(4-Methoxyphenyl)thiocarbamoyl]amino]-5-ethyl-4H-1,2,4-triazole-3-thiol (CAS 116508-99-7), with molecular formula C12H15N5OS2 and molecular weight 309.07 g/mol. IUPAC: 1-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-3-(4-methoxyphenyl)thiourea.
Chemical Property Profile of 4-[[(4-Methoxyphenyl)thiocarbamoyl]amino]-5-ethyl-4H-1,2,4-triazole-3-thiol
Property Insights of 4-[[(4-Methoxyphenyl)thiocarbamoyl]amino]-5-ethyl-4H-1,2,4-triazole-3-thiol
The XLogP value of 2.45219 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[[(4-Methoxyphenyl)thiocarbamoyl]amino]-5-ethyl-4H-1,2,4-triazole-3-thiol. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[(4-Methoxyphenyl)thiocarbamoyl]amino]-5-ethyl-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 4-[[(4-Methoxyphenyl)thiocarbamoyl]amino]-5-ethyl-4H-1,2,4-triazole-3-thiol 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 4-[[(4-Methoxyphenyl)thiocarbamoyl]amino]-5-ethyl-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-[[(4-Methoxyphenyl)thiocarbamoyl]amino]-5-ethyl-4H-1,2,4-triazole-3-thiol is 116508-99-7.
What is the molecular formula of 4-[[(4-Methoxyphenyl)thiocarbamoyl]amino]-5-ethyl-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-[[(4-Methoxyphenyl)thiocarbamoyl]amino]-5-ethyl-4H-1,2,4-triazole-3-thiol is C12H15N5OS2.
What is the molecular weight of 4-[[(4-Methoxyphenyl)thiocarbamoyl]amino]-5-ethyl-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-[[(4-Methoxyphenyl)thiocarbamoyl]amino]-5-ethyl-4H-1,2,4-triazole-3-thiol is 309.07 g/mol.
Where can I buy 4-[[(4-Methoxyphenyl)thiocarbamoyl]amino]-5-ethyl-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-[[(4-Methoxyphenyl)thiocarbamoyl]amino]-5-ethyl-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 4-[[(4-Methoxyphenyl)thiocarbamoyl]amino]-5-ethyl-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-[[(4-Methoxyphenyl)thiocarbamoyl]amino]-5-ethyl-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.