N-phenyl-N'-(1,2,4-triazol-5-yl)thiourea
TL;DR: N-phenyl-N'-(1,2,4-triazol-5-yl)thiourea (CAS 21732-01-4) is a chemical compound with molecular formula C9H9N5S and molecular weight 219.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-3-(1H-1,2,4-triazol-5-yl)thiourea
Also Known As: N-phenyl-N'-(1,2,4-triazol-5-yl)thiourea, 1-phenyl-3-(1H-1,2,4-triazol-5-yl)thiourea, 1-phenyl-3-(4H-1,2,4-triazol-3-yl)thiourea, N-Phenyl-N'-(1H-1,2,4-triazol-5-yl)thiourea, (phenylamino)(1H-1,2,4-triazol-3-ylamino)methane-1-thione
| Molecular Formula | C9H9N5S |
|---|---|
| Molecular Weight | 219.06 g/mol |
| LogP | 1.6136 |
| Topological Polar Surface Area | 65.63 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.05786 |
| Heavy Atoms | 15 |
| Complexity | 425.02805 |
Chemical Identifiers
| CAS Number | 21732-01-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=S)NC2=NC=NN2 |
Product Overview
N-phenyl-N'-(1,2,4-triazol-5-yl)thiourea (CAS 21732-01-4), with molecular formula C9H9N5S and molecular weight 219.06 g/mol. IUPAC: 1-phenyl-3-(1H-1,2,4-triazol-5-yl)thiourea.
Chemical Property Profile of N-phenyl-N'-(1,2,4-triazol-5-yl)thiourea
Property Insights of N-phenyl-N'-(1,2,4-triazol-5-yl)thiourea
The XLogP value of 1.6136 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-phenyl-N'-(1,2,4-triazol-5-yl)thiourea. The TPSA of 65.63 Ų falls within the moderate polarity range, balancing permeability and solubility for N-phenyl-N'-(1,2,4-triazol-5-yl)thiourea. Following Lipinski's Rule of Five, N-phenyl-N'-(1,2,4-triazol-5-yl)thiourea has 3 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-phenyl-N'-(1,2,4-triazol-5-yl)thiourea?
The CAS number of N-phenyl-N'-(1,2,4-triazol-5-yl)thiourea is 21732-01-4.
What is the molecular formula of N-phenyl-N'-(1,2,4-triazol-5-yl)thiourea?
The molecular formula of N-phenyl-N'-(1,2,4-triazol-5-yl)thiourea is C9H9N5S.
What is the molecular weight of N-phenyl-N'-(1,2,4-triazol-5-yl)thiourea?
The molecular weight of N-phenyl-N'-(1,2,4-triazol-5-yl)thiourea is 219.06 g/mol.
Where can I buy N-phenyl-N'-(1,2,4-triazol-5-yl)thiourea?
You can request a quote for N-phenyl-N'-(1,2,4-triazol-5-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-phenyl-N'-(1,2,4-triazol-5-yl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-phenyl-N'-(1,2,4-triazol-5-yl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.