1-(difluoromethyl)-2-((difluoromethyl)sulfanyl)-1H-1,3-benzodiazole
TL;DR: 1-(difluoromethyl)-2-((difluoromethyl)sulfanyl)-1H-1,3-benzodiazole (CAS 329269-59-2) is a chemical compound with molecular formula C9H6F4N2S and molecular weight 250.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(difluoromethyl)-2-(difluoromethylsulfanyl)benzimidazole
Also Known As: 1-(difluoromethyl)-2-[(difluoromethyl)sulfanyl]-1H-1,3-benzodiazole, 1-(difluoromethyl)-2-(difluoromethylsulfanyl)benzimidazole, J2.941.290A, 1-Difluoromethyl-2-(difluoromethylthio)benzimidazole, 1-(Difluoromethyl)-2-[(difluoromethyl)thio]-1H-benzoimidazole
| Molecular Formula | C9H6F4N2S |
|---|---|
| Molecular Weight | 250.02 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.01878 |
| Heavy Atoms | 16 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 329269-59-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(N2C(F)F)SC(F)F |
| InChIKey | NHBXPXYRTCDIEV-UHFFFAOYSA-N |
Product Overview
1-(difluoromethyl)-2-((difluoromethyl)sulfanyl)-1H-1,3-benzodiazole (CAS 329269-59-2), with molecular formula C9H6F4N2S and molecular weight 250.02 g/mol. IUPAC: 1-(difluoromethyl)-2-(difluoromethylsulfanyl)benzimidazole.
Chemical Property Profile of 1-(difluoromethyl)-2-((difluoromethyl)sulfanyl)-1H-1,3-benzodiazole
Property Insights of 1-(difluoromethyl)-2-((difluoromethyl)sulfanyl)-1H-1,3-benzodiazole
The XLogP value of 4.1 indicates that 1-(difluoromethyl)-2-((difluoromethyl)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 43.1 Ų, 1-(difluoromethyl)-2-((difluoromethyl)sulfanyl)-1H-1,3-benzodiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(difluoromethyl)-2-((difluoromethyl)sulfanyl)-1H-1,3-benzodiazole has 0 hydrogen bond donor(s) and 6 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-(difluoromethyl)-2-((difluoromethyl)sulfanyl)-1H-1,3-benzodiazole?
The CAS number of 1-(difluoromethyl)-2-((difluoromethyl)sulfanyl)-1H-1,3-benzodiazole is 329269-59-2.
What is the molecular formula of 1-(difluoromethyl)-2-((difluoromethyl)sulfanyl)-1H-1,3-benzodiazole?
The molecular formula of 1-(difluoromethyl)-2-((difluoromethyl)sulfanyl)-1H-1,3-benzodiazole is C9H6F4N2S.
What is the molecular weight of 1-(difluoromethyl)-2-((difluoromethyl)sulfanyl)-1H-1,3-benzodiazole?
The molecular weight of 1-(difluoromethyl)-2-((difluoromethyl)sulfanyl)-1H-1,3-benzodiazole is 250.02 g/mol.
Where can I buy 1-(difluoromethyl)-2-((difluoromethyl)sulfanyl)-1H-1,3-benzodiazole?
You can request a quote for 1-(difluoromethyl)-2-((difluoromethyl)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 1-(difluoromethyl)-2-((difluoromethyl)sulfanyl)-1H-1,3-benzodiazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(difluoromethyl)-2-((difluoromethyl)sulfanyl)-1H-1,3-benzodiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.