![2-[(2-Chloroethylthio)methyl]benzimidazole structure](/static/products/9079/90794-93-7.webp)
2-[(2-Chloroethylthio)methyl]benzimidazole
TL;DR: 2-[(2-Chloroethylthio)methyl]benzimidazole (CAS 90794-93-7) is a chemical compound with molecular formula C10H11ClN2S and molecular weight 226.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-chloroethylsulfanylmethyl)-1H-benzimidazole
Also Known As: 2-[(2-chloroethylthio)methyl]benzimidazole, 1H-Benzimidazole, 2-[[(2-chloroethyl)thio]methyl]-, 2-(2-chloroethylsulfanylmethyl)-1H-benzimidazole, 2-{[(2-Chloroethyl)sulfanyl]methyl}-1H-benzimidazole
| Molecular Formula | C10H11ClN2S |
|---|---|
| Molecular Weight | 226.03 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 226.03314 |
| Heavy Atoms | 14 |
| Complexity | 180.0 |
Chemical Identifiers
| CAS Number | 90794-93-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)CSCCCl |
| InChIKey | SYMYDRRCCDAPCY-UHFFFAOYSA-N |
Product Overview
2-[(2-Chloroethylthio)methyl]benzimidazole (CAS 90794-93-7), with molecular formula C10H11ClN2S and molecular weight 226.03 g/mol. IUPAC: 2-(2-chloroethylsulfanylmethyl)-1H-benzimidazole.
Chemical Property Profile of 2-[(2-Chloroethylthio)methyl]benzimidazole
Property Insights of 2-[(2-Chloroethylthio)methyl]benzimidazole
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(2-Chloroethylthio)methyl]benzimidazole. With a topological polar surface area (TPSA) of 54.0 Ų, 2-[(2-Chloroethylthio)methyl]benzimidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(2-Chloroethylthio)methyl]benzimidazole 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 2-[(2-Chloroethylthio)methyl]benzimidazole?
The CAS number of 2-[(2-Chloroethylthio)methyl]benzimidazole is 90794-93-7.
What is the molecular formula of 2-[(2-Chloroethylthio)methyl]benzimidazole?
The molecular formula of 2-[(2-Chloroethylthio)methyl]benzimidazole is C10H11ClN2S.
What is the molecular weight of 2-[(2-Chloroethylthio)methyl]benzimidazole?
The molecular weight of 2-[(2-Chloroethylthio)methyl]benzimidazole is 226.03 g/mol.
Where can I buy 2-[(2-Chloroethylthio)methyl]benzimidazole?
You can request a quote for 2-[(2-Chloroethylthio)methyl]benzimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2-Chloroethylthio)methyl]benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-Chloroethylthio)methyl]benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.