2-methanesulfonyl-1H-1,3-benzodiazole
TL;DR: 2-methanesulfonyl-1H-1,3-benzodiazole (CAS 57159-81-6) is a chemical compound with molecular formula C8H8N2O2S and molecular weight 196.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfonyl-1H-benzimidazole
Also Known As: 2-(Methylsulfonyl)-1H-benzo[d]imidazole, 2-methanesulfonyl-1H-1,3-benzodiazole, 2-methylsulfonyl-1H-benzimidazole, 2-(methylsulfonyl)-1H-benzimidazole, 2-(methylsulfonyl)benzimidazole
| Molecular Formula | C8H8N2O2S |
|---|---|
| Molecular Weight | 196.03 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 71.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 196.03065 |
| Heavy Atoms | 13 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 57159-81-6 |
|---|---|
| SMILES | CS(=O)(=O)C1=NC2=CC=CC=C2N1 |
| InChIKey | LEEMFGGMWJGRQO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-methanesulfonyl-1H-1,3-benzodiazole (CAS 57159-81-6), with molecular formula C8H8N2O2S and molecular weight 196.03 g/mol. IUPAC: 2-methylsulfonyl-1H-benzimidazole.
Chemical Property Profile of 2-methanesulfonyl-1H-1,3-benzodiazole
Property Insights of 2-methanesulfonyl-1H-1,3-benzodiazole
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-methanesulfonyl-1H-1,3-benzodiazole. The TPSA of 71.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-methanesulfonyl-1H-1,3-benzodiazole. Following Lipinski's Rule of Five, 2-methanesulfonyl-1H-1,3-benzodiazole has 1 hydrogen bond donor(s) and 3 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-methanesulfonyl-1H-1,3-benzodiazole?
The CAS number of 2-methanesulfonyl-1H-1,3-benzodiazole is 57159-81-6.
What is the molecular formula of 2-methanesulfonyl-1H-1,3-benzodiazole?
The molecular formula of 2-methanesulfonyl-1H-1,3-benzodiazole is C8H8N2O2S.
What is the molecular weight of 2-methanesulfonyl-1H-1,3-benzodiazole?
The molecular weight of 2-methanesulfonyl-1H-1,3-benzodiazole is 196.03 g/mol.
Where can I buy 2-methanesulfonyl-1H-1,3-benzodiazole?
You can request a quote for 2-methanesulfonyl-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-methanesulfonyl-1H-1,3-benzodiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-methanesulfonyl-1H-1,3-benzodiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.