1-Methyl-2-(methylsulfanyl)-1H-benzimidazole--hydrogen chloride (1/1)
TL;DR: 1-Methyl-2-(methylsulfanyl)-1H-benzimidazole--hydrogen chloride (1/1) (CAS 74022-45-0) is a chemical compound with molecular formula C9H11ClN2S and molecular weight 214.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-methylsulfanyl-1H-benzimidazol-3-ium chloride
Also Known As: 1-Methyl-2-methylthiobenzimidazole hydrochloride, 3-methyl-2-methylsulfanyl-1H-benzimidazol-3-ium chloride, BENZIMIDAZOLE, 1-METHYL-2-METHYLTHIO-, HYDROCHLORIDE, 3-methyl-2-(methylsulfanyl)-1H-benzimidazol-3-ium chloride, 1-Methyl-2-(methylsulfanyl)-1H-benzimidazole--hydrogen chloride (1/1)
| Molecular Formula | C9H11ClN2S |
|---|---|
| Molecular Weight | 214.03 g/mol |
| LogP | -1.28 |
| Topological Polar Surface Area | 45.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 214.03314 |
| Heavy Atoms | 13 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 74022-45-0 |
|---|---|
| SMILES | C[N+]1=C(NC2=CC=CC=C21)SC.[Cl-] |
| InChIKey | BDWNVWAPGIZDKX-UHFFFAOYSA-N |
Product Overview
1-Methyl-2-(methylsulfanyl)-1H-benzimidazole--hydrogen chloride (1/1) (CAS 74022-45-0), with molecular formula C9H11ClN2S and molecular weight 214.03 g/mol. IUPAC: 3-methyl-2-methylsulfanyl-1H-benzimidazol-3-ium chloride.
Chemical Property Profile of 1-Methyl-2-(methylsulfanyl)-1H-benzimidazole--hydrogen chloride (1/1)
Property Insights of 1-Methyl-2-(methylsulfanyl)-1H-benzimidazole--hydrogen chloride (1/1)
The XLogP value of -1.28 indicates that 1-Methyl-2-(methylsulfanyl)-1H-benzimidazole--hydrogen chloride (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 45.0 Ų, 1-Methyl-2-(methylsulfanyl)-1H-benzimidazole--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-2-(methylsulfanyl)-1H-benzimidazole--hydrogen chloride (1/1) 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 1-Methyl-2-(methylsulfanyl)-1H-benzimidazole--hydrogen chloride (1/1)?
The CAS number of 1-Methyl-2-(methylsulfanyl)-1H-benzimidazole--hydrogen chloride (1/1) is 74022-45-0.
What is the molecular formula of 1-Methyl-2-(methylsulfanyl)-1H-benzimidazole--hydrogen chloride (1/1)?
The molecular formula of 1-Methyl-2-(methylsulfanyl)-1H-benzimidazole--hydrogen chloride (1/1) is C9H11ClN2S.
What is the molecular weight of 1-Methyl-2-(methylsulfanyl)-1H-benzimidazole--hydrogen chloride (1/1)?
The molecular weight of 1-Methyl-2-(methylsulfanyl)-1H-benzimidazole--hydrogen chloride (1/1) is 214.03 g/mol.
Where can I buy 1-Methyl-2-(methylsulfanyl)-1H-benzimidazole--hydrogen chloride (1/1)?
You can request a quote for 1-Methyl-2-(methylsulfanyl)-1H-benzimidazole--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-2-(methylsulfanyl)-1H-benzimidazole--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-2-(methylsulfanyl)-1H-benzimidazole--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.