![2-({[(2-chlorophenyl)methyl]sulfanyl}methyl)-1H-1,3-benzodiazole structure](/static/products/5490/54906-46-6.webp)
2-({[(2-chlorophenyl)methyl]sulfanyl}methyl)-1H-1,3-benzodiazole
TL;DR: 2-({[(2-chlorophenyl)methyl]sulfanyl}methyl)-1H-1,3-benzodiazole (CAS 54906-46-6) is a chemical compound with molecular formula C15H13ClN2S and molecular weight 288.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chlorophenyl)methylsulfanylmethyl]-1H-benzimidazole
Also Known As: BAS 10319195, 2-({[(2-chlorophenyl)methyl]sulfanyl}methyl)-1H-1,3-benzodiazole, 2-(((2-chlorobenzyl)thio)methyl)-1H-benzo[d]imidazole, (benzimidazol-2-ylmethylthio)(2-chlorophenyl)methane, 2-(2-Chloro-benzylsulfanylmethyl)-1H-benzoimidazole
| Molecular Formula | C15H13ClN2S |
|---|---|
| Molecular Weight | 288.05 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 288.0488 |
| Heavy Atoms | 19 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 54906-46-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CSCC2=NC3=CC=CC=C3N2)Cl |
| InChIKey | KNTHISZJGLCSDZ-UHFFFAOYSA-N |
Product Overview
2-({[(2-chlorophenyl)methyl]sulfanyl}methyl)-1H-1,3-benzodiazole (CAS 54906-46-6), with molecular formula C15H13ClN2S and molecular weight 288.05 g/mol. IUPAC: 2-[(2-chlorophenyl)methylsulfanylmethyl]-1H-benzimidazole.
Chemical Property Profile of 2-({[(2-chlorophenyl)methyl]sulfanyl}methyl)-1H-1,3-benzodiazole
Property Insights of 2-({[(2-chlorophenyl)methyl]sulfanyl}methyl)-1H-1,3-benzodiazole
The XLogP value of 4.1 indicates that 2-({[(2-chlorophenyl)methyl]sulfanyl}methyl)-1H-1,3-benzodiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.0 Ų, 2-({[(2-chlorophenyl)methyl]sulfanyl}methyl)-1H-1,3-benzodiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-({[(2-chlorophenyl)methyl]sulfanyl}methyl)-1H-1,3-benzodiazole 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-chlorophenyl)methyl]sulfanyl}methyl)-1H-1,3-benzodiazole?
The CAS number of 2-({[(2-chlorophenyl)methyl]sulfanyl}methyl)-1H-1,3-benzodiazole is 54906-46-6.
What is the molecular formula of 2-({[(2-chlorophenyl)methyl]sulfanyl}methyl)-1H-1,3-benzodiazole?
The molecular formula of 2-({[(2-chlorophenyl)methyl]sulfanyl}methyl)-1H-1,3-benzodiazole is C15H13ClN2S.
What is the molecular weight of 2-({[(2-chlorophenyl)methyl]sulfanyl}methyl)-1H-1,3-benzodiazole?
The molecular weight of 2-({[(2-chlorophenyl)methyl]sulfanyl}methyl)-1H-1,3-benzodiazole is 288.05 g/mol.
Where can I buy 2-({[(2-chlorophenyl)methyl]sulfanyl}methyl)-1H-1,3-benzodiazole?
You can request a quote for 2-({[(2-chlorophenyl)methyl]sulfanyl}methyl)-1H-1,3-benzodiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({[(2-chlorophenyl)methyl]sulfanyl}methyl)-1H-1,3-benzodiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-({[(2-chlorophenyl)methyl]sulfanyl}methyl)-1H-1,3-benzodiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.