1-benzyl-3-(4H-1,2,4-triazol-4-yl)thiourea
TL;DR: 1-benzyl-3-(4H-1,2,4-triazol-4-yl)thiourea (CAS 454459-10-0) is a chemical compound with molecular formula C10H11N5S and molecular weight 233.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3-(1,2,4-triazol-4-yl)thiourea
Also Known As: 1-benzyl-3-(4H-1,2,4-triazol-4-yl)thiourea, 1-benzyl-3-(1,2,4-triazol-4-yl)thiourea, [benzylamino](1,2,4-triazol-4-ylamino)methane-1-thione
| Molecular Formula | C10H11N5S |
|---|---|
| Molecular Weight | 233.07 g/mol |
| LogP | 0.8963 |
| Topological Polar Surface Area | 54.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.07352 |
| Heavy Atoms | 16 |
| Complexity | 439.49765 |
Chemical Identifiers
| CAS Number | 454459-10-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=S)NN2C=NN=C2 |
Product Overview
1-benzyl-3-(4H-1,2,4-triazol-4-yl)thiourea (CAS 454459-10-0), with molecular formula C10H11N5S and molecular weight 233.07 g/mol. IUPAC: 1-benzyl-3-(1,2,4-triazol-4-yl)thiourea.
Chemical Property Profile of 1-benzyl-3-(4H-1,2,4-triazol-4-yl)thiourea
Property Insights of 1-benzyl-3-(4H-1,2,4-triazol-4-yl)thiourea
The XLogP value of 0.8963 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-benzyl-3-(4H-1,2,4-triazol-4-yl)thiourea. With a topological polar surface area (TPSA) of 54.77 Ų, 1-benzyl-3-(4H-1,2,4-triazol-4-yl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-benzyl-3-(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 1-benzyl-3-(4H-1,2,4-triazol-4-yl)thiourea?
The CAS number of 1-benzyl-3-(4H-1,2,4-triazol-4-yl)thiourea is 454459-10-0.
What is the molecular formula of 1-benzyl-3-(4H-1,2,4-triazol-4-yl)thiourea?
The molecular formula of 1-benzyl-3-(4H-1,2,4-triazol-4-yl)thiourea is C10H11N5S.
What is the molecular weight of 1-benzyl-3-(4H-1,2,4-triazol-4-yl)thiourea?
The molecular weight of 1-benzyl-3-(4H-1,2,4-triazol-4-yl)thiourea is 233.07 g/mol.
Where can I buy 1-benzyl-3-(4H-1,2,4-triazol-4-yl)thiourea?
You can request a quote for 1-benzyl-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-benzyl-3-(4H-1,2,4-triazol-4-yl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-3-(4H-1,2,4-triazol-4-yl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.