5-(3-Bromophenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
TL;DR: 5-(3-Bromophenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 204077-08-7) is a chemical compound with molecular formula C14H10BrN3S and molecular weight 330.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-bromophenyl)-4-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: 5-(3-bromophenyl)-4-phenyl-4H-1,2,4-triazole-3-thiol, SALOR-INT L443107-1EA, 3-(3-bromophenyl)-4-phenyl-1H-1,2,4-triazole-5(4H)-thione, 3-(3-bromophenyl)-4-phenyl-1H-1,2,4-triazole-5-thione, BIM-0034095.P001
| Molecular Formula | C14H10BrN3S |
|---|---|
| Molecular Weight | 330.98 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 59.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 330.97787 |
| Heavy Atoms | 19 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 204077-08-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NNC2=S)C3=CC(=CC=C3)Br |
| InChIKey | YDNKKOJZQFGCRA-UHFFFAOYSA-N |
Product Overview
5-(3-Bromophenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 204077-08-7), with molecular formula C14H10BrN3S and molecular weight 330.98 g/mol. IUPAC: 3-(3-bromophenyl)-4-phenyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(3-Bromophenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Property Insights of 5-(3-Bromophenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
The XLogP value of 3.9 indicates that 5-(3-Bromophenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.7 Ų, 5-(3-Bromophenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(3-Bromophenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione has 1 hydrogen bond donor(s) and 2 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 5-(3-Bromophenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The CAS number of 5-(3-Bromophenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione is 204077-08-7.
What is the molecular formula of 5-(3-Bromophenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular formula of 5-(3-Bromophenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione is C14H10BrN3S.
What is the molecular weight of 5-(3-Bromophenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular weight of 5-(3-Bromophenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione is 330.98 g/mol.
Where can I buy 5-(3-Bromophenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
You can request a quote for 5-(3-Bromophenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3-Bromophenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-Bromophenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.