![2-(isopentylthio)-1H-benzo[d]imidazole structure](/static/products/1002/100255-10-5.webp)
2-(isopentylthio)-1H-benzo[d]imidazole
TL;DR: 2-(isopentylthio)-1H-benzo[d]imidazole (CAS 100255-10-5) is a chemical compound with molecular formula C12H16N2S and molecular weight 220.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methylbutylsulfanyl)-1H-benzimidazole
Also Known As: 2-(isopentylthio)-1H-benzo[d]imidazole, 2-(3-methylbutylsulfanyl)-1H-benzimidazole, BIM-0000942.P001, 2-[(3-METHYLBUTYL)SULFANYL]-1H-1,3-BENZODIAZOLE, F0783-0012
| Molecular Formula | C12H16N2S |
|---|---|
| Molecular Weight | 220.10 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 220.10342 |
| Heavy Atoms | 15 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 100255-10-5 |
|---|---|
| SMILES | CC(C)CCSC1=NC2=CC=CC=C2N1 |
| InChIKey | FMYZISVQEBCWQS-UHFFFAOYSA-N |
Product Overview
2-(isopentylthio)-1H-benzo[d]imidazole (CAS 100255-10-5), with molecular formula C12H16N2S and molecular weight 220.10 g/mol. IUPAC: 2-(3-methylbutylsulfanyl)-1H-benzimidazole.
Chemical Property Profile of 2-(isopentylthio)-1H-benzo[d]imidazole
Property Insights of 2-(isopentylthio)-1H-benzo[d]imidazole
The XLogP value of 3.8 indicates that 2-(isopentylthio)-1H-benzo[d]imidazole 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-(isopentylthio)-1H-benzo[d]imidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(isopentylthio)-1H-benzo[d]imidazole 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-(isopentylthio)-1H-benzo[d]imidazole?
The CAS number of 2-(isopentylthio)-1H-benzo[d]imidazole is 100255-10-5.
What is the molecular formula of 2-(isopentylthio)-1H-benzo[d]imidazole?
The molecular formula of 2-(isopentylthio)-1H-benzo[d]imidazole is C12H16N2S.
What is the molecular weight of 2-(isopentylthio)-1H-benzo[d]imidazole?
The molecular weight of 2-(isopentylthio)-1H-benzo[d]imidazole is 220.10 g/mol.
Where can I buy 2-(isopentylthio)-1H-benzo[d]imidazole?
You can request a quote for 2-(isopentylthio)-1H-benzo[d]imidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(isopentylthio)-1H-benzo[d]imidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(isopentylthio)-1H-benzo[d]imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.