N-Benzyl-N'-(3-(4-BR-PH)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-YL)thiourea
TL;DR: N-Benzyl-N'-(3-(4-BR-PH)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-YL)thiourea (CAS 539808-16-7) is a chemical compound with molecular formula C16H14BrN5S2 and molecular weight 418.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3-[3-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]thiourea
Also Known As: N-BENZYL-N'-(3-(4-BR-PH)-5-THIOXO-1,5-DIHYDRO-4H-1,2,4-TRIAZOL-4-YL)THIOUREA, 1-benzyl-3-[3-(4-bromophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]thiourea, 1-Benzyl-3-(3-(4-bromophenyl)-5-thioxo-1H-1,2,4-triazol-4(5H)-yl)thiourea, 1-benzyl-3-[3-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]thiourea, 3-benzyl-1-[3-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]thiourea
| Molecular Formula | C16H14BrN5S2 |
|---|---|
| Molecular Weight | 418.99 g/mol |
| LogP | 3.98839 |
| Topological Polar Surface Area | 57.67 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 418.9874 |
| Heavy Atoms | 24 |
| Complexity | 886.8362 |
Chemical Identifiers
| CAS Number | 539808-16-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=S)NN2C(=NNC2=S)C3=CC=C(C=C3)Br |
Product Overview
N-Benzyl-N'-(3-(4-BR-PH)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-YL)thiourea (CAS 539808-16-7), with molecular formula C16H14BrN5S2 and molecular weight 418.99 g/mol. IUPAC: 1-benzyl-3-[3-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]thiourea.
Chemical Property Profile of N-Benzyl-N'-(3-(4-BR-PH)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-YL)thiourea
Property Insights of N-Benzyl-N'-(3-(4-BR-PH)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-YL)thiourea
The XLogP value of 3.98839 indicates that N-Benzyl-N'-(3-(4-BR-PH)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-YL)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.67 Ų, N-Benzyl-N'-(3-(4-BR-PH)-5-thioxo-1,5-dihydro-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-Benzyl-N'-(3-(4-BR-PH)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-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-Benzyl-N'-(3-(4-BR-PH)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-YL)thiourea?
The CAS number of N-Benzyl-N'-(3-(4-BR-PH)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-YL)thiourea is 539808-16-7.
What is the molecular formula of N-Benzyl-N'-(3-(4-BR-PH)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-YL)thiourea?
The molecular formula of N-Benzyl-N'-(3-(4-BR-PH)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-YL)thiourea is C16H14BrN5S2.
What is the molecular weight of N-Benzyl-N'-(3-(4-BR-PH)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-YL)thiourea?
The molecular weight of N-Benzyl-N'-(3-(4-BR-PH)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-YL)thiourea is 418.99 g/mol.
Where can I buy N-Benzyl-N'-(3-(4-BR-PH)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-YL)thiourea?
You can request a quote for N-Benzyl-N'-(3-(4-BR-PH)-5-thioxo-1,5-dihydro-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-Benzyl-N'-(3-(4-BR-PH)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-YL)thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-Benzyl-N'-(3-(4-BR-PH)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-YL)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.