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2-{[(2-chlorophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole
TL;DR: 2-{[(2-chlorophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole (CAS 35838-26-7) is a chemical compound with molecular formula C14H11ClN2S and molecular weight 274.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chlorophenyl)methylsulfanyl]-1H-benzimidazole
Also Known As: Maybridge1_003485, 2-(2-Chloro-benzylsulfanyl)-1H-benzoimidazole, 2-{[(2-chlorophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole, 2-((2-chlorobenzyl)thio)-1H-benzo[d]imidazole, 2-[(2-chlorophenyl)methylsulfanyl]-1H-benzimidazole
| Molecular Formula | C14H11ClN2S |
|---|---|
| Molecular Weight | 274.03 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 274.03314 |
| Heavy Atoms | 18 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 35838-26-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CSC2=NC3=CC=CC=C3N2)Cl |
| InChIKey | ZNOFJEVAANDKBD-UHFFFAOYSA-N |
Product Overview
2-{[(2-chlorophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole (CAS 35838-26-7), with molecular formula C14H11ClN2S and molecular weight 274.03 g/mol. IUPAC: 2-[(2-chlorophenyl)methylsulfanyl]-1H-benzimidazole.
Chemical Property Profile of 2-{[(2-chlorophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole
Property Insights of 2-{[(2-chlorophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole
The XLogP value of 4.5 indicates that 2-{[(2-chlorophenyl)methyl]sulfanyl}-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}-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}-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}-1H-1,3-benzodiazole?
The CAS number of 2-{[(2-chlorophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole is 35838-26-7.
What is the molecular formula of 2-{[(2-chlorophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole?
The molecular formula of 2-{[(2-chlorophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole is C14H11ClN2S.
What is the molecular weight of 2-{[(2-chlorophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole?
The molecular weight of 2-{[(2-chlorophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole is 274.03 g/mol.
Where can I buy 2-{[(2-chlorophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole?
You can request a quote for 2-{[(2-chlorophenyl)methyl]sulfanyl}-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}-1H-1,3-benzodiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(2-chlorophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.