2-(4,5-dihydro-1H-imidazol-2-yl)benzenethiol
TL;DR: 2-(4,5-dihydro-1H-imidazol-2-yl)benzenethiol (CAS 53440-31-6) is a chemical compound with molecular formula C9H10N2S and molecular weight 178.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4,5-dihydro-1H-imidazol-2-yl)benzenethiol
Also Known As: 2-(4,5-dihydro-1H-imidazol-2-yl)benzenethiol, dihydroimidazolylbenzenethiol, 2-(4,5-dihydro-1H-imidazol-2-yl)benzene-1-thiol, 5094AE, 2-(2-imidazolin-2-yl)benzene-1-thiol
| Molecular Formula | C9H10N2S |
|---|---|
| Molecular Weight | 178.06 g/mol |
| LogP | 1.3251 |
| Topological Polar Surface Area | 24.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 178.05647 |
| Heavy Atoms | 12 |
| Complexity | 320.0595 |
Chemical Identifiers
| CAS Number | 53440-31-6 |
|---|---|
| SMILES | C1CN=C(N1)C2=CC=CC=C2S |
Product Overview
2-(4,5-dihydro-1H-imidazol-2-yl)benzenethiol (CAS 53440-31-6), with molecular formula C9H10N2S and molecular weight 178.06 g/mol. IUPAC: 2-(4,5-dihydro-1H-imidazol-2-yl)benzenethiol.
Chemical Property Profile of 2-(4,5-dihydro-1H-imidazol-2-yl)benzenethiol
Property Insights of 2-(4,5-dihydro-1H-imidazol-2-yl)benzenethiol
The XLogP value of 1.3251 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4,5-dihydro-1H-imidazol-2-yl)benzenethiol. With a topological polar surface area (TPSA) of 24.39 Ų, 2-(4,5-dihydro-1H-imidazol-2-yl)benzenethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4,5-dihydro-1H-imidazol-2-yl)benzenethiol has 2 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 2-(4,5-dihydro-1H-imidazol-2-yl)benzenethiol?
The CAS number of 2-(4,5-dihydro-1H-imidazol-2-yl)benzenethiol is 53440-31-6.
What is the molecular formula of 2-(4,5-dihydro-1H-imidazol-2-yl)benzenethiol?
The molecular formula of 2-(4,5-dihydro-1H-imidazol-2-yl)benzenethiol is C9H10N2S.
What is the molecular weight of 2-(4,5-dihydro-1H-imidazol-2-yl)benzenethiol?
The molecular weight of 2-(4,5-dihydro-1H-imidazol-2-yl)benzenethiol is 178.06 g/mol.
Where can I buy 2-(4,5-dihydro-1H-imidazol-2-yl)benzenethiol?
You can request a quote for 2-(4,5-dihydro-1H-imidazol-2-yl)benzenethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4,5-dihydro-1H-imidazol-2-yl)benzenethiol?
Yes, KEHONG BIO provides custom synthesis services for 2-(4,5-dihydro-1H-imidazol-2-yl)benzenethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.