2-(Isobutylthio)-1H-benzimidazole
TL;DR: 2-(Isobutylthio)-1H-benzimidazole (CAS 75080-14-7) is a chemical compound with molecular formula C11H14N2S and molecular weight 206.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methylpropylsulfanyl)-1H-benzimidazole
Also Known As: 2-(ISOBUTYLTHIO)-1H-BENZIMIDAZOLE, 2-[(2-methylpropyl)sulfanyl]-1H-1,3-benzodiazole, 2-isobutylsulfanyl-1H-benzimidazole, 2-(2-methylpropylthio)benzimidazole, 2-(isobutylthio)-1H-benzo[d]imidazole
| Molecular Formula | C11H14N2S |
|---|---|
| Molecular Weight | 206.09 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 206.08777 |
| Heavy Atoms | 14 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 75080-14-7 |
|---|---|
| SMILES | CC(C)CSC1=NC2=CC=CC=C2N1 |
| InChIKey | BIXYBNXEZARYML-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Isobutylthio)-1H-benzimidazole (CAS 75080-14-7), with molecular formula C11H14N2S and molecular weight 206.09 g/mol. IUPAC: 2-(2-methylpropylsulfanyl)-1H-benzimidazole.
Chemical Property Profile of 2-(Isobutylthio)-1H-benzimidazole
Property Insights of 2-(Isobutylthio)-1H-benzimidazole
The XLogP value of 3.4 indicates that 2-(Isobutylthio)-1H-benzimidazole 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-(Isobutylthio)-1H-benzimidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Isobutylthio)-1H-benzimidazole 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-(Isobutylthio)-1H-benzimidazole?
The CAS number of 2-(Isobutylthio)-1H-benzimidazole is 75080-14-7.
What is the molecular formula of 2-(Isobutylthio)-1H-benzimidazole?
The molecular formula of 2-(Isobutylthio)-1H-benzimidazole is C11H14N2S.
What is the molecular weight of 2-(Isobutylthio)-1H-benzimidazole?
The molecular weight of 2-(Isobutylthio)-1H-benzimidazole is 206.09 g/mol.
Where can I buy 2-(Isobutylthio)-1H-benzimidazole?
You can request a quote for 2-(Isobutylthio)-1H-benzimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Isobutylthio)-1H-benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(Isobutylthio)-1H-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.