![1-ethyl-2-[(phenylsulfanyl)methyl]-1H-1,3-benzodiazole structure](/static/products/839/839680-73-8.png)
1-ethyl-2-[(phenylsulfanyl)methyl]-1H-1,3-benzodiazole
TL;DR: 1-ethyl-2-[(phenylsulfanyl)methyl]-1H-1,3-benzodiazole (CAS 839680-73-8) is a chemical compound with molecular formula C16H16N2S and molecular weight 268.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-2-(phenylsulfanylmethyl)benzimidazole
Also Known As: BAS 11720747, 1-ethyl-2-[(phenylsulfanyl)methyl]-1H-1,3-benzodiazole, [(1-ethylbenzimidazol-2-yl)methylthio]benzene, 1-ethyl-2-(phenylsulfanylmethyl)benzimidazole, 1-Ethyl-2-phenylsulfanylmethyl-1H-benzoimidazole
| Molecular Formula | C16H16N2S |
|---|---|
| Molecular Weight | 268.10 g/mol |
| LogP | 4.3485 |
| Topological Polar Surface Area | 17.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 268.10342 |
| Heavy Atoms | 19 |
| Complexity | 673.5366 |
Chemical Identifiers
| CAS Number | 839680-73-8 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2N=C1CSC3=CC=CC=C3 |
Product Overview
1-ethyl-2-[(phenylsulfanyl)methyl]-1H-1,3-benzodiazole (CAS 839680-73-8), with molecular formula C16H16N2S and molecular weight 268.10 g/mol. IUPAC: 1-ethyl-2-(phenylsulfanylmethyl)benzimidazole.
Chemical Property Profile of 1-ethyl-2-[(phenylsulfanyl)methyl]-1H-1,3-benzodiazole
Property Insights of 1-ethyl-2-[(phenylsulfanyl)methyl]-1H-1,3-benzodiazole
The XLogP value of 4.3485 indicates that 1-ethyl-2-[(phenylsulfanyl)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 17.82 Ų, 1-ethyl-2-[(phenylsulfanyl)methyl]-1H-1,3-benzodiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-ethyl-2-[(phenylsulfanyl)methyl]-1H-1,3-benzodiazole has 0 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 1-ethyl-2-[(phenylsulfanyl)methyl]-1H-1,3-benzodiazole?
The CAS number of 1-ethyl-2-[(phenylsulfanyl)methyl]-1H-1,3-benzodiazole is 839680-73-8.
What is the molecular formula of 1-ethyl-2-[(phenylsulfanyl)methyl]-1H-1,3-benzodiazole?
The molecular formula of 1-ethyl-2-[(phenylsulfanyl)methyl]-1H-1,3-benzodiazole is C16H16N2S.
What is the molecular weight of 1-ethyl-2-[(phenylsulfanyl)methyl]-1H-1,3-benzodiazole?
The molecular weight of 1-ethyl-2-[(phenylsulfanyl)methyl]-1H-1,3-benzodiazole is 268.10 g/mol.
Where can I buy 1-ethyl-2-[(phenylsulfanyl)methyl]-1H-1,3-benzodiazole?
You can request a quote for 1-ethyl-2-[(phenylsulfanyl)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 1-ethyl-2-[(phenylsulfanyl)methyl]-1H-1,3-benzodiazole?
Yes, KEHONG BIO provides custom synthesis services for 1-ethyl-2-[(phenylsulfanyl)methyl]-1H-1,3-benzodiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.