1H-1,2,4-Triazole-3-thiol, 5-(p-ureidophenyl)-
TL;DR: 1H-1,2,4-Triazole-3-thiol, 5-(p-ureidophenyl)- (CAS 3414-98-0) is a chemical compound with molecular formula C9H9N5OS and molecular weight 235.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)phenyl]urea
Also Known As: p-(3-Mercapto-s-triazol-5-yl)phenylurea, 1H-1,2,4-Triazole-3-thiol, 5-(p-ureidophenyl)-, 5-(p-Ureidophenyl)-1H-1,2,4-triazole-3-thiol, Urea, 1-(p-(3-mercapto-s-triazol-5-yl)phenyl)-, 3-phenyl-1H-1,2,4-triazole-5-thiol
| Molecular Formula | C9H9N5OS |
|---|---|
| Molecular Weight | 235.05 g/mol |
| LogP | 1.62489 |
| Topological Polar Surface Area | 99.59 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 235.05278 |
| Heavy Atoms | 16 |
| Complexity | 555.7784 |
Chemical Identifiers
| CAS Number | 3414-98-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NC(=S)NN2)NC(=O)N |
Product Overview
1H-1,2,4-Triazole-3-thiol, 5-(p-ureidophenyl)- (CAS 3414-98-0), with molecular formula C9H9N5OS and molecular weight 235.05 g/mol. IUPAC: [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-(p-ureidophenyl)-
Property Insights of 1H-1,2,4-Triazole-3-thiol, 5-(p-ureidophenyl)-
The XLogP value of 1.62489 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,2,4-Triazole-3-thiol, 5-(p-ureidophenyl)-. The TPSA of 99.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-1,2,4-Triazole-3-thiol, 5-(p-ureidophenyl)-. Following Lipinski's Rule of Five, 1H-1,2,4-Triazole-3-thiol, 5-(p-ureidophenyl)- 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-(p-ureidophenyl)-?
The CAS number of 1H-1,2,4-Triazole-3-thiol, 5-(p-ureidophenyl)- is 3414-98-0.
What is the molecular formula of 1H-1,2,4-Triazole-3-thiol, 5-(p-ureidophenyl)-?
The molecular formula of 1H-1,2,4-Triazole-3-thiol, 5-(p-ureidophenyl)- is C9H9N5OS.
What is the molecular weight of 1H-1,2,4-Triazole-3-thiol, 5-(p-ureidophenyl)-?
The molecular weight of 1H-1,2,4-Triazole-3-thiol, 5-(p-ureidophenyl)- is 235.05 g/mol.
Where can I buy 1H-1,2,4-Triazole-3-thiol, 5-(p-ureidophenyl)-?
You can request a quote for 1H-1,2,4-Triazole-3-thiol, 5-(p-ureidophenyl)- 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-(p-ureidophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,2,4-Triazole-3-thiol, 5-(p-ureidophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.