5-(4,5-Dibromothiophen-2-yl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
TL;DR: 5-(4,5-Dibromothiophen-2-yl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 828274-97-1) is a chemical compound with molecular formula C7H5Br2N3S2 and molecular weight 352.83 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4,5-dibromothiophen-2-yl)-4-methyl-1H-1,2,4-triazole-5-thione
Also Known As: 5-(4,5-Dibromothiophen-2-yl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione, 5-(4,5-dibromo-2-thienyl)-4-methyl-4H-1,2,4-triazole-3-thiol, 5-(4,5-dibromo(2-thienyl))-4-methyl-1,2,4-triazole-3-thiol, 5-(4,5-dibromothiophen-2-yl)-4-methyl-4H-1,2,4-triazole-3-thiol, 3-(4,5-dibromothiophen-2-yl)-4-methyl-1H-1,2,4-triazole-5-thione
| Molecular Formula | C7H5Br2N3S2 |
|---|---|
| Molecular Weight | 352.83 g/mol |
| LogP | 3.73119 |
| Topological Polar Surface Area | 33.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 352.82916 |
| Heavy Atoms | 14 |
| Complexity | 505.76758 |
Chemical Identifiers
| CAS Number | 828274-97-1 |
|---|---|
| SMILES | CN1C(=NNC1=S)C2=CC(=C(S2)Br)Br |
Product Overview
5-(4,5-Dibromothiophen-2-yl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 828274-97-1), with molecular formula C7H5Br2N3S2 and molecular weight 352.83 g/mol. IUPAC: 3-(4,5-dibromothiophen-2-yl)-4-methyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(4,5-Dibromothiophen-2-yl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Property Insights of 5-(4,5-Dibromothiophen-2-yl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
The XLogP value of 3.73119 indicates that 5-(4,5-Dibromothiophen-2-yl)-4-methyl-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 33.61 Ų, 5-(4,5-Dibromothiophen-2-yl)-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-(4,5-Dibromothiophen-2-yl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione has 1 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 5-(4,5-Dibromothiophen-2-yl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The CAS number of 5-(4,5-Dibromothiophen-2-yl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione is 828274-97-1.
What is the molecular formula of 5-(4,5-Dibromothiophen-2-yl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular formula of 5-(4,5-Dibromothiophen-2-yl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione is C7H5Br2N3S2.
What is the molecular weight of 5-(4,5-Dibromothiophen-2-yl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular weight of 5-(4,5-Dibromothiophen-2-yl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione is 352.83 g/mol.
Where can I buy 5-(4,5-Dibromothiophen-2-yl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
You can request a quote for 5-(4,5-Dibromothiophen-2-yl)-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-(4,5-Dibromothiophen-2-yl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-(4,5-Dibromothiophen-2-yl)-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.