4-(4-Bromo-phenyl)-1H-imidazole-2-thiol
TL;DR: 4-(4-Bromo-phenyl)-1H-imidazole-2-thiol (CAS 436095-86-2) is a chemical compound with molecular formula C9H7BrN2S and molecular weight 253.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-bromophenyl)-1,3-dihydroimidazole-2-thione
Also Known As: 4-(4-Bromo-phenyl)-1H-imidazole-2-thiol, 4-(4-bromophenyl)-1H-imidazole-2-thiol, 5-(4-bromophenyl)-1H-imidazole-2-thiol, 2-Methyl-1,2-butanediol, 4-(4-bromophenyl)-1,3-dihydroimidazole-2-thione
| Molecular Formula | C9H7BrN2S |
|---|---|
| Molecular Weight | 253.95 g/mol |
| LogP | 3.50179 |
| Topological Polar Surface Area | 31.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 253.95132 |
| Heavy Atoms | 13 |
| Complexity | 454.96698 |
Chemical Identifiers
| CAS Number | 436095-86-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CNC(=S)N2)Br |
Product Overview
4-(4-Bromo-phenyl)-1H-imidazole-2-thiol (CAS 436095-86-2), with molecular formula C9H7BrN2S and molecular weight 253.95 g/mol. IUPAC: 4-(4-bromophenyl)-1,3-dihydroimidazole-2-thione.
Chemical Property Profile of 4-(4-Bromo-phenyl)-1H-imidazole-2-thiol
Property Insights of 4-(4-Bromo-phenyl)-1H-imidazole-2-thiol
The XLogP value of 3.50179 indicates that 4-(4-Bromo-phenyl)-1H-imidazole-2-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.58 Ų, 4-(4-Bromo-phenyl)-1H-imidazole-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Bromo-phenyl)-1H-imidazole-2-thiol has 2 hydrogen bond donor(s) and 1 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 4-(4-Bromo-phenyl)-1H-imidazole-2-thiol?
The CAS number of 4-(4-Bromo-phenyl)-1H-imidazole-2-thiol is 436095-86-2.
What is the molecular formula of 4-(4-Bromo-phenyl)-1H-imidazole-2-thiol?
The molecular formula of 4-(4-Bromo-phenyl)-1H-imidazole-2-thiol is C9H7BrN2S.
What is the molecular weight of 4-(4-Bromo-phenyl)-1H-imidazole-2-thiol?
The molecular weight of 4-(4-Bromo-phenyl)-1H-imidazole-2-thiol is 253.95 g/mol.
Where can I buy 4-(4-Bromo-phenyl)-1H-imidazole-2-thiol?
You can request a quote for 4-(4-Bromo-phenyl)-1H-imidazole-2-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Bromo-phenyl)-1H-imidazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Bromo-phenyl)-1H-imidazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.