N-ethyl-N'-(4H-1,2,4-triazol-4-yl)thiourea
TL;DR: N-ethyl-N'-(4H-1,2,4-triazol-4-yl)thiourea (CAS 5102-45-4) is a chemical compound with molecular formula C5H9N5S and molecular weight 171.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-3-(1,2,4-triazol-4-yl)thiourea
Also Known As: 1-Ethyl-3-(4H-1,2,4-triazol-4-yl)thiourea, N-ethyl-N'-(4H-1,2,4-triazol-4-yl)thiourea, 3-ethyl-1-(4H-1,2,4-triazol-4-yl)thiourea, 1-ethyl-3-(1,2,4-triazol-4-yl)thiourea, 1-ethyl-3-(4h-1,2,4-triazol-4-yl) thiourea
| Molecular Formula | C5H9N5S |
|---|---|
| Molecular Weight | 171.06 g/mol |
| LogP | -0.284 |
| Topological Polar Surface Area | 54.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 171.05786 |
| Heavy Atoms | 11 |
| Complexity | 218.78647 |
Chemical Identifiers
| CAS Number | 5102-45-4 |
|---|---|
| SMILES | CCNC(=S)NN1C=NN=C1 |
Product Overview
N-ethyl-N'-(4H-1,2,4-triazol-4-yl)thiourea (CAS 5102-45-4), with molecular formula C5H9N5S and molecular weight 171.06 g/mol. IUPAC: 1-ethyl-3-(1,2,4-triazol-4-yl)thiourea.
Chemical Property Profile of N-ethyl-N'-(4H-1,2,4-triazol-4-yl)thiourea
Property Insights of N-ethyl-N'-(4H-1,2,4-triazol-4-yl)thiourea
The XLogP value of -0.284 indicates that N-ethyl-N'-(4H-1,2,4-triazol-4-yl)thiourea is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 54.77 Ų, N-ethyl-N'-(4H-1,2,4-triazol-4-yl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-ethyl-N'-(4H-1,2,4-triazol-4-yl)thiourea has 2 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 N-ethyl-N'-(4H-1,2,4-triazol-4-yl)thiourea?
The CAS number of N-ethyl-N'-(4H-1,2,4-triazol-4-yl)thiourea is 5102-45-4.
What is the molecular formula of N-ethyl-N'-(4H-1,2,4-triazol-4-yl)thiourea?
The molecular formula of N-ethyl-N'-(4H-1,2,4-triazol-4-yl)thiourea is C5H9N5S.
What is the molecular weight of N-ethyl-N'-(4H-1,2,4-triazol-4-yl)thiourea?
The molecular weight of N-ethyl-N'-(4H-1,2,4-triazol-4-yl)thiourea is 171.06 g/mol.
Where can I buy N-ethyl-N'-(4H-1,2,4-triazol-4-yl)thiourea?
You can request a quote for N-ethyl-N'-(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-ethyl-N'-(4H-1,2,4-triazol-4-yl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-ethyl-N'-(4H-1,2,4-triazol-4-yl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.