5-Hydroxymethyl-2-mercapto-1-benzylimidazole
TL;DR: 5-Hydroxymethyl-2-mercapto-1-benzylimidazole (CAS 98412-23-8) is a chemical compound with molecular formula C11H12N2OS and molecular weight 220.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-4-(hydroxymethyl)-1H-imidazole-2-thione
Also Known As: (1-Benzyl-2-sulfanyl-1h-imidazol-5-yl)methanol, Maybridge4_002813, (3-benzyl-2-sulfanylimidazol-4-yl)methanol, 3-benzyl-4-(hydroxymethyl)-1H-imidazole-2-thione, IIQWCVZBUKMFBS-UHFFFAOYSA-
| Molecular Formula | C11H12N2OS |
|---|---|
| Molecular Weight | 220.07 g/mol |
| LogP | 2.08629 |
| Topological Polar Surface Area | 40.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.06703 |
| Heavy Atoms | 15 |
| Complexity | 486.78906 |
Chemical Identifiers
| CAS Number | 98412-23-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=CNC2=S)CO |
Product Overview
5-Hydroxymethyl-2-mercapto-1-benzylimidazole (CAS 98412-23-8), with molecular formula C11H12N2OS and molecular weight 220.07 g/mol. IUPAC: 3-benzyl-4-(hydroxymethyl)-1H-imidazole-2-thione.
Chemical Property Profile of 5-Hydroxymethyl-2-mercapto-1-benzylimidazole
Property Insights of 5-Hydroxymethyl-2-mercapto-1-benzylimidazole
The XLogP value of 2.08629 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Hydroxymethyl-2-mercapto-1-benzylimidazole. With a topological polar surface area (TPSA) of 40.95 Ų, 5-Hydroxymethyl-2-mercapto-1-benzylimidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Hydroxymethyl-2-mercapto-1-benzylimidazole has 2 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-Hydroxymethyl-2-mercapto-1-benzylimidazole?
The CAS number of 5-Hydroxymethyl-2-mercapto-1-benzylimidazole is 98412-23-8.
What is the molecular formula of 5-Hydroxymethyl-2-mercapto-1-benzylimidazole?
The molecular formula of 5-Hydroxymethyl-2-mercapto-1-benzylimidazole is C11H12N2OS.
What is the molecular weight of 5-Hydroxymethyl-2-mercapto-1-benzylimidazole?
The molecular weight of 5-Hydroxymethyl-2-mercapto-1-benzylimidazole is 220.07 g/mol.
Where can I buy 5-Hydroxymethyl-2-mercapto-1-benzylimidazole?
You can request a quote for 5-Hydroxymethyl-2-mercapto-1-benzylimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Hydroxymethyl-2-mercapto-1-benzylimidazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Hydroxymethyl-2-mercapto-1-benzylimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.