1-Isobutyl-1H-benzimidazole-2-thiol
TL;DR: 1-Isobutyl-1H-benzimidazole-2-thiol (CAS 55489-14-0) 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.
3-(2-methylpropyl)-1H-benzimidazole-2-thione
Also Known As: 1-Isobutyl-1H-benzimidazole-2-thiol, ChemDiv3_004969, 1-Isobutyl-1H-benzo[d]imidazole-2-thiol, 1-Isobutyl-1H-benzoimidazole-2-thiol, 1-(2-methylpropyl)-1H-1,3-benzodiazole-2-thiol
| Molecular Formula | C11H14N2S |
|---|---|
| Molecular Weight | 206.09 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 47.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 206.08777 |
| Heavy Atoms | 14 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 55489-14-0 |
|---|---|
| SMILES | CC(C)CN1C2=CC=CC=C2NC1=S |
| InChIKey | PDEPCYZELSULEW-UHFFFAOYSA-N |
Product Overview
1-Isobutyl-1H-benzimidazole-2-thiol (CAS 55489-14-0), with molecular formula C11H14N2S and molecular weight 206.09 g/mol. IUPAC: 3-(2-methylpropyl)-1H-benzimidazole-2-thione.
Chemical Property Profile of 1-Isobutyl-1H-benzimidazole-2-thiol
Property Insights of 1-Isobutyl-1H-benzimidazole-2-thiol
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Isobutyl-1H-benzimidazole-2-thiol. With a topological polar surface area (TPSA) of 47.4 Ų, 1-Isobutyl-1H-benzimidazole-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Isobutyl-1H-benzimidazole-2-thiol has 1 hydrogen bond donor(s) and 1 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-Isobutyl-1H-benzimidazole-2-thiol?
The CAS number of 1-Isobutyl-1H-benzimidazole-2-thiol is 55489-14-0.
What is the molecular formula of 1-Isobutyl-1H-benzimidazole-2-thiol?
The molecular formula of 1-Isobutyl-1H-benzimidazole-2-thiol is C11H14N2S.
What is the molecular weight of 1-Isobutyl-1H-benzimidazole-2-thiol?
The molecular weight of 1-Isobutyl-1H-benzimidazole-2-thiol is 206.09 g/mol.
Where can I buy 1-Isobutyl-1H-benzimidazole-2-thiol?
You can request a quote for 1-Isobutyl-1H-benzimidazole-2-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Isobutyl-1H-benzimidazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 1-Isobutyl-1H-benzimidazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.