1H-1,2,4-Triazole-3-thiol, 5-(4-(3-ethylureido)phenyl)-
TL;DR: 1H-1,2,4-Triazole-3-thiol, 5-(4-(3-ethylureido)phenyl)- (CAS 4922-56-9) is a chemical compound with molecular formula C11H13N5OS and molecular weight 263.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-3-[4-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)phenyl]urea
Also Known As: 1-Benzoyl-3-pyridin-2-yl-thiourea, 1H-1,2,4-Triazole-3-thiol, 5-(4-(3-ethylureido)phenyl)-, 3-Ethyl-1-(p-(3-mercapto-s-triazol-5-yl)phenyl)urea, Urea, 3-ethyl-1-(p-(3-mercapto-s-triazol-5-yl)phenyl)-, 5-[4-(3-Ethylureido)phenyl]-1H-1,2,4-triazole-3-thiol
| Molecular Formula | C11H13N5OS |
|---|---|
| Molecular Weight | 263.08 g/mol |
| LogP | 2.27569 |
| Topological Polar Surface Area | 85.6 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 263.08408 |
| Heavy Atoms | 18 |
| Complexity | 585.9811 |
Chemical Identifiers
| CAS Number | 4922-56-9 |
|---|---|
| SMILES | CCNC(=O)NC1=CC=C(C=C1)C2=NC(=S)NN2 |
Product Overview
1H-1,2,4-Triazole-3-thiol, 5-(4-(3-ethylureido)phenyl)- (CAS 4922-56-9), with molecular formula C11H13N5OS and molecular weight 263.08 g/mol. IUPAC: 1-ethyl-3-[4-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)phenyl]urea.
Chemical Property Profile of 1H-1,2,4-Triazole-3-thiol, 5-(4-(3-ethylureido)phenyl)-
Property Insights of 1H-1,2,4-Triazole-3-thiol, 5-(4-(3-ethylureido)phenyl)-
The XLogP value of 2.27569 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,2,4-Triazole-3-thiol, 5-(4-(3-ethylureido)phenyl)-. The TPSA of 85.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-1,2,4-Triazole-3-thiol, 5-(4-(3-ethylureido)phenyl)-. Following Lipinski's Rule of Five, 1H-1,2,4-Triazole-3-thiol, 5-(4-(3-ethylureido)phenyl)- has 4 hydrogen bond donor(s) and 3 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 1H-1,2,4-Triazole-3-thiol, 5-(4-(3-ethylureido)phenyl)-?
The CAS number of 1H-1,2,4-Triazole-3-thiol, 5-(4-(3-ethylureido)phenyl)- is 4922-56-9.
What is the molecular formula of 1H-1,2,4-Triazole-3-thiol, 5-(4-(3-ethylureido)phenyl)-?
The molecular formula of 1H-1,2,4-Triazole-3-thiol, 5-(4-(3-ethylureido)phenyl)- is C11H13N5OS.
What is the molecular weight of 1H-1,2,4-Triazole-3-thiol, 5-(4-(3-ethylureido)phenyl)-?
The molecular weight of 1H-1,2,4-Triazole-3-thiol, 5-(4-(3-ethylureido)phenyl)- is 263.08 g/mol.
Where can I buy 1H-1,2,4-Triazole-3-thiol, 5-(4-(3-ethylureido)phenyl)-?
You can request a quote for 1H-1,2,4-Triazole-3-thiol, 5-(4-(3-ethylureido)phenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-1,2,4-Triazole-3-thiol, 5-(4-(3-ethylureido)phenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,2,4-Triazole-3-thiol, 5-(4-(3-ethylureido)phenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.