1-Benzoyl-3-(4H-1,2,4-triazol-4-yl)thiourea
TL;DR: 1-Benzoyl-3-(4H-1,2,4-triazol-4-yl)thiourea (CAS 299417-33-7) is a chemical compound with molecular formula C10H9N5OS and molecular weight 247.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,2,4-triazol-4-ylcarbamothioyl)benzamide
Also Known As: 1-Benzoyl-3-(4H-1,2,4-triazol-4-yl)thiourea, N-(1,2,4-triazol-4-ylcarbamothioyl)benzamide, N-(1,2,4-triazol-4-ylthiocarbamoyl)benzamide, N-((4H-1,2,4-Triazol-4-yl)carbamothioyl)benzamide
| Molecular Formula | C10H9N5OS |
|---|---|
| Molecular Weight | 247.05 g/mol |
| LogP | 0.5365 |
| Topological Polar Surface Area | 71.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.05278 |
| Heavy Atoms | 17 |
| Complexity | 510.75723 |
Chemical Identifiers
| CAS Number | 299417-33-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NC(=S)NN2C=NN=C2 |
Product Overview
1-Benzoyl-3-(4H-1,2,4-triazol-4-yl)thiourea (CAS 299417-33-7), with molecular formula C10H9N5OS and molecular weight 247.05 g/mol. IUPAC: N-(1,2,4-triazol-4-ylcarbamothioyl)benzamide.
Chemical Property Profile of 1-Benzoyl-3-(4H-1,2,4-triazol-4-yl)thiourea
Property Insights of 1-Benzoyl-3-(4H-1,2,4-triazol-4-yl)thiourea
The XLogP value of 0.5365 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzoyl-3-(4H-1,2,4-triazol-4-yl)thiourea. The TPSA of 71.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Benzoyl-3-(4H-1,2,4-triazol-4-yl)thiourea. Following Lipinski's Rule of Five, 1-Benzoyl-3-(4H-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-Benzoyl-3-(4H-1,2,4-triazol-4-yl)thiourea?
The CAS number of 1-Benzoyl-3-(4H-1,2,4-triazol-4-yl)thiourea is 299417-33-7.
What is the molecular formula of 1-Benzoyl-3-(4H-1,2,4-triazol-4-yl)thiourea?
The molecular formula of 1-Benzoyl-3-(4H-1,2,4-triazol-4-yl)thiourea is C10H9N5OS.
What is the molecular weight of 1-Benzoyl-3-(4H-1,2,4-triazol-4-yl)thiourea?
The molecular weight of 1-Benzoyl-3-(4H-1,2,4-triazol-4-yl)thiourea is 247.05 g/mol.
Where can I buy 1-Benzoyl-3-(4H-1,2,4-triazol-4-yl)thiourea?
You can request a quote for 1-Benzoyl-3-(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 1-Benzoyl-3-(4H-1,2,4-triazol-4-yl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzoyl-3-(4H-1,2,4-triazol-4-yl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.