6-氯-1H-苯并咪唑-2-乙硫醇
TL;DR: 6-氯-1H-苯并咪唑-2-乙硫醇 (CAS 54117-40-7) is a chemical compound with molecular formula C9H9ClN2S and molecular weight 212.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-氯-1H-苯并咪唑-2-乙硫醇
2-(6-chloro-1H-benzimidazol-2-yl)ethanethiol
Also Known As: 1h-benzimidazole-2-ethanethiol, 6-chloro-, 2-(6-chloro-1H-benzimidazol-2-yl)ethanethiol, 1h-benzimidazole-2-ethanethiol,6-chloro, 2-(5-chloro-3H-benzoimidazol-2-yl)ethanethiol, 2-(6-chlorobenzimidazol-2-yl)ethane-1-thiol
| Molecular Formula | C9H9ClN2S |
|---|---|
| Molecular Weight | 212.02 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 29.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.0175 |
| Heavy Atoms | 13 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 54117-40-7 |
|---|---|
| SMILES | C1=CC2=C(C=C1Cl)NC(=N2)CCS |
| InChIKey | PAXXXTOYJAGWPP-UHFFFAOYSA-N |
Product Overview
6-氯-1H-苯并咪唑-2-乙硫醇 (CAS 54117-40-7), with molecular formula C9H9ClN2S and molecular weight 212.02 g/mol. IUPAC: 2-(6-chloro-1H-benzimidazol-2-yl)ethanethiol.
Chemical Property Profile of 6-氯-1H-苯并咪唑-2-乙硫醇
Property Insights of 6-氯-1H-苯并咪唑-2-乙硫醇
The XLogP value of 3.1 indicates that 6-氯-1H-苯并咪唑-2-乙硫醇 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.7 Ų, 6-氯-1H-苯并咪唑-2-乙硫醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-氯-1H-苯并咪唑-2-乙硫醇 has 2 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 6-氯-1H-苯并咪唑-2-乙硫醇?
The CAS number of 6-氯-1H-苯并咪唑-2-乙硫醇 is 54117-40-7.
What is the molecular formula of 6-氯-1H-苯并咪唑-2-乙硫醇?
The molecular formula of 6-氯-1H-苯并咪唑-2-乙硫醇 is C9H9ClN2S.
What is the molecular weight of 6-氯-1H-苯并咪唑-2-乙硫醇?
The molecular weight of 6-氯-1H-苯并咪唑-2-乙硫醇 is 212.02 g/mol.
Where can I buy 6-氯-1H-苯并咪唑-2-乙硫醇?
You can request a quote for 6-氯-1H-苯并咪唑-2-乙硫醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-氯-1H-苯并咪唑-2-乙硫醇?
Yes, KEHONG BIO provides custom synthesis services for 6-氯-1H-苯并咪唑-2-乙硫醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.