N-propargyl 2-mercaptobenzimidazole
TL;DR: N-propargyl 2-mercaptobenzimidazole (CAS 80276-21-7) is a chemical compound with molecular formula C10H8N2S and molecular weight 188.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-prop-2-ynyl-1H-benzimidazole-2-thione
Also Known As: N-propargyl 2-mercaptobenzimidazole, 3-prop-2-ynyl-1H-benzimidazole-2-thione, 3-prop-2-ynyl-1H-benzoimidazole-2-thione, 1-(prop-2-yn-1-yl)-1,3-dihydro-2H-benzimidazole-2-thione, 2H-BENZIMIDAZOLE-2-THIONE, 1,3-DIHYDRO-1-(2-PROPYNYL)-
| Molecular Formula | C10H8N2S |
|---|---|
| Molecular Weight | 188.04 g/mol |
| LogP | 2.33209 |
| Topological Polar Surface Area | 20.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 188.04082 |
| Heavy Atoms | 13 |
| Complexity | 527.5837 |
Chemical Identifiers
| CAS Number | 80276-21-7 |
|---|---|
| SMILES | C#CCN1C2=CC=CC=C2NC1=S |
Product Overview
N-propargyl 2-mercaptobenzimidazole (CAS 80276-21-7), with molecular formula C10H8N2S and molecular weight 188.04 g/mol. IUPAC: 3-prop-2-ynyl-1H-benzimidazole-2-thione.
Chemical Property Profile of N-propargyl 2-mercaptobenzimidazole
Property Insights of N-propargyl 2-mercaptobenzimidazole
The XLogP value of 2.33209 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-propargyl 2-mercaptobenzimidazole. With a topological polar surface area (TPSA) of 20.72 Ų, N-propargyl 2-mercaptobenzimidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-propargyl 2-mercaptobenzimidazole 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 N-propargyl 2-mercaptobenzimidazole?
The CAS number of N-propargyl 2-mercaptobenzimidazole is 80276-21-7.
What is the molecular formula of N-propargyl 2-mercaptobenzimidazole?
The molecular formula of N-propargyl 2-mercaptobenzimidazole is C10H8N2S.
What is the molecular weight of N-propargyl 2-mercaptobenzimidazole?
The molecular weight of N-propargyl 2-mercaptobenzimidazole is 188.04 g/mol.
Where can I buy N-propargyl 2-mercaptobenzimidazole?
You can request a quote for N-propargyl 2-mercaptobenzimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-propargyl 2-mercaptobenzimidazole?
Yes, KEHONG BIO provides custom synthesis services for N-propargyl 2-mercaptobenzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.