5-(3-bromophenyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
TL;DR: 5-(3-bromophenyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 333771-24-7) is a chemical compound with molecular formula C9H8BrN3S and molecular weight 268.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-bromophenyl)-4-methyl-1H-1,2,4-triazole-5-thione
Also Known As: 5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazole-3-thiol, 5-(3-bromophenyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione, 3-(3-Bromophenyl)-4-methyl-1H-1,2,4-triazole-5(4H)-thione, 3-(3-bromophenyl)-4-methyl-1H-1,2,4-triazole-5-thione, 3-(3-bromophenyl)-4-methyl-4,5-dihydro-1H-1,2,4-triazole-5-thione
| Molecular Formula | C9H8BrN3S |
|---|---|
| Molecular Weight | 268.96 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 59.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 268.96222 |
| Heavy Atoms | 14 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 333771-24-7 |
|---|---|
| SMILES | CN1C(=NNC1=S)C2=CC(=CC=C2)Br |
| InChIKey | BOPAGWTWVHPEEC-UHFFFAOYSA-N |
Product Overview
5-(3-bromophenyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 333771-24-7), with molecular formula C9H8BrN3S and molecular weight 268.96 g/mol. IUPAC: 3-(3-bromophenyl)-4-methyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(3-bromophenyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Property Insights of 5-(3-bromophenyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3-bromophenyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione. With a topological polar surface area (TPSA) of 59.7 Ų, 5-(3-bromophenyl)-4-methyl-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-methyl-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-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The CAS number of 5-(3-bromophenyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione is 333771-24-7.
What is the molecular formula of 5-(3-bromophenyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular formula of 5-(3-bromophenyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione is C9H8BrN3S.
What is the molecular weight of 5-(3-bromophenyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular weight of 5-(3-bromophenyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione is 268.96 g/mol.
Where can I buy 5-(3-bromophenyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
You can request a quote for 5-(3-bromophenyl)-4-methyl-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-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-bromophenyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.