N-(4-chlorophenyl)-N'-(4H-1,2,4-triazol-4-yl)thiourea
TL;DR: N-(4-chlorophenyl)-N'-(4H-1,2,4-triazol-4-yl)thiourea (CAS 5102-35-2) is a chemical compound with molecular formula C9H8ClN5S and molecular weight 253.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-3-(1,2,4-triazol-4-yl)thiourea
Also Known As: N-(4-chlorophenyl)-N'-(4H-1,2,4-triazol-4-yl)thiourea, 1-(4-chlorophenyl)-3-(4H-1,2,4-triazol-4-yl)thiourea, 1-(4-chlorophenyl)-3-(1,2,4-triazol-4-yl)thiourea, 1-(4-chloro-phenyl)-3-[1,2,4]triazol-4-yl-thiourea, 6R-0014
| Molecular Formula | C9H8ClN5S |
|---|---|
| Molecular Weight | 253.02 g/mol |
| LogP | 1.872 |
| Topological Polar Surface Area | 54.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.01889 |
| Heavy Atoms | 16 |
| Complexity | 467.1544 |
Chemical Identifiers
| CAS Number | 5102-35-2 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=S)NN2C=NN=C2)Cl |
Product Overview
N-(4-chlorophenyl)-N'-(4H-1,2,4-triazol-4-yl)thiourea (CAS 5102-35-2), with molecular formula C9H8ClN5S and molecular weight 253.02 g/mol. IUPAC: 1-(4-chlorophenyl)-3-(1,2,4-triazol-4-yl)thiourea.
Chemical Property Profile of N-(4-chlorophenyl)-N'-(4H-1,2,4-triazol-4-yl)thiourea
Property Insights of N-(4-chlorophenyl)-N'-(4H-1,2,4-triazol-4-yl)thiourea
The XLogP value of 1.872 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-chlorophenyl)-N'-(4H-1,2,4-triazol-4-yl)thiourea. With a topological polar surface area (TPSA) of 54.77 Ų, N-(4-chlorophenyl)-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-(4-chlorophenyl)-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-(4-chlorophenyl)-N'-(4H-1,2,4-triazol-4-yl)thiourea?
The CAS number of N-(4-chlorophenyl)-N'-(4H-1,2,4-triazol-4-yl)thiourea is 5102-35-2.
What is the molecular formula of N-(4-chlorophenyl)-N'-(4H-1,2,4-triazol-4-yl)thiourea?
The molecular formula of N-(4-chlorophenyl)-N'-(4H-1,2,4-triazol-4-yl)thiourea is C9H8ClN5S.
What is the molecular weight of N-(4-chlorophenyl)-N'-(4H-1,2,4-triazol-4-yl)thiourea?
The molecular weight of N-(4-chlorophenyl)-N'-(4H-1,2,4-triazol-4-yl)thiourea is 253.02 g/mol.
Where can I buy N-(4-chlorophenyl)-N'-(4H-1,2,4-triazol-4-yl)thiourea?
You can request a quote for N-(4-chlorophenyl)-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-(4-chlorophenyl)-N'-(4H-1,2,4-triazol-4-yl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-(4-chlorophenyl)-N'-(4H-1,2,4-triazol-4-yl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.