2-(Hexylsulfanyl)-1H-1,3-benzodiazole
TL;DR: 2-(Hexylsulfanyl)-1H-1,3-benzodiazole (CAS 70825-03-5) is a chemical compound with molecular formula C13H18N2S and molecular weight 234.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hexylsulfanyl-1H-benzimidazole
Also Known As: 2-hexylthiobenzimidazole, 2-hexylsulfanyl-1H-benzimidazole, 2-(HEXYLSULFANYL)-1H-1,3-BENZODIAZOLE, 2-(hexylthio)-1H-benzo[d]imidazole, 2-hexylsulfanyl-1H-benzoimidazole
| Molecular Formula | C13H18N2S |
|---|---|
| Molecular Weight | 234.12 g/mol |
| LogP | 4.2353 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 234.11906 |
| Heavy Atoms | 16 |
| Complexity | 403.18015 |
Chemical Identifiers
| CAS Number | 70825-03-5 |
|---|---|
| SMILES | CCCCCCSC1=NC2=CC=CC=C2N1 |
Product Overview
2-(Hexylsulfanyl)-1H-1,3-benzodiazole (CAS 70825-03-5), with molecular formula C13H18N2S and molecular weight 234.12 g/mol. IUPAC: 2-hexylsulfanyl-1H-benzimidazole.
Chemical Property Profile of 2-(Hexylsulfanyl)-1H-1,3-benzodiazole
Property Insights of 2-(Hexylsulfanyl)-1H-1,3-benzodiazole
The XLogP value of 4.2353 indicates that 2-(Hexylsulfanyl)-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 28.68 Ų, 2-(Hexylsulfanyl)-1H-1,3-benzodiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Hexylsulfanyl)-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-(Hexylsulfanyl)-1H-1,3-benzodiazole?
The CAS number of 2-(Hexylsulfanyl)-1H-1,3-benzodiazole is 70825-03-5.
What is the molecular formula of 2-(Hexylsulfanyl)-1H-1,3-benzodiazole?
The molecular formula of 2-(Hexylsulfanyl)-1H-1,3-benzodiazole is C13H18N2S.
What is the molecular weight of 2-(Hexylsulfanyl)-1H-1,3-benzodiazole?
The molecular weight of 2-(Hexylsulfanyl)-1H-1,3-benzodiazole is 234.12 g/mol.
Where can I buy 2-(Hexylsulfanyl)-1H-1,3-benzodiazole?
You can request a quote for 2-(Hexylsulfanyl)-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-(Hexylsulfanyl)-1H-1,3-benzodiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(Hexylsulfanyl)-1H-1,3-benzodiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.