1-ethyl-5-(piperidine-1-sulfonyl)-1H-1,3-benzodiazole-2-thiol
TL;DR: 1-ethyl-5-(piperidine-1-sulfonyl)-1H-1,3-benzodiazole-2-thiol (CAS 744242-76-0) is a chemical compound with molecular formula C14H19N3O2S2 and molecular weight 325.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-6-piperidin-1-ylsulfonyl-1H-benzimidazole-2-thione
Also Known As: 1-ethyl-5-(piperidine-1-sulfonyl)-1H-1,3-benzodiazole-2-thiol, 1-ethyl-5-(piperidin-1-ylsulfonyl)-1H-benzimidazole-2-thiol, 3-ethyl-6-piperidin-1-ylsulfonyl-1H-benzimidazole-2-thione, 3-ethyl-6-(1-piperidylsulfonyl)-1H-benzimidazole-2-thione, 1-ethyl-5-(piperidine-1-sulfonyl)-3H-1,3-benzodiazole-2-thione
| Molecular Formula | C14H19N3O2S2 |
|---|---|
| Molecular Weight | 325.09 g/mol |
| LogP | 2.89339 |
| Topological Polar Surface Area | 58.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.09186 |
| Heavy Atoms | 21 |
| Complexity | 814.347 |
Chemical Identifiers
| CAS Number | 744242-76-0 |
|---|---|
| SMILES | CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC1=S |
Product Overview
1-ethyl-5-(piperidine-1-sulfonyl)-1H-1,3-benzodiazole-2-thiol (CAS 744242-76-0), with molecular formula C14H19N3O2S2 and molecular weight 325.09 g/mol. IUPAC: 3-ethyl-6-piperidin-1-ylsulfonyl-1H-benzimidazole-2-thione.
Chemical Property Profile of 1-ethyl-5-(piperidine-1-sulfonyl)-1H-1,3-benzodiazole-2-thiol
Property Insights of 1-ethyl-5-(piperidine-1-sulfonyl)-1H-1,3-benzodiazole-2-thiol
The XLogP value of 2.89339 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-ethyl-5-(piperidine-1-sulfonyl)-1H-1,3-benzodiazole-2-thiol. With a topological polar surface area (TPSA) of 58.1 Ų, 1-ethyl-5-(piperidine-1-sulfonyl)-1H-1,3-benzodiazole-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-ethyl-5-(piperidine-1-sulfonyl)-1H-1,3-benzodiazole-2-thiol has 1 hydrogen bond donor(s) and 3 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-ethyl-5-(piperidine-1-sulfonyl)-1H-1,3-benzodiazole-2-thiol?
The CAS number of 1-ethyl-5-(piperidine-1-sulfonyl)-1H-1,3-benzodiazole-2-thiol is 744242-76-0.
What is the molecular formula of 1-ethyl-5-(piperidine-1-sulfonyl)-1H-1,3-benzodiazole-2-thiol?
The molecular formula of 1-ethyl-5-(piperidine-1-sulfonyl)-1H-1,3-benzodiazole-2-thiol is C14H19N3O2S2.
What is the molecular weight of 1-ethyl-5-(piperidine-1-sulfonyl)-1H-1,3-benzodiazole-2-thiol?
The molecular weight of 1-ethyl-5-(piperidine-1-sulfonyl)-1H-1,3-benzodiazole-2-thiol is 325.09 g/mol.
Where can I buy 1-ethyl-5-(piperidine-1-sulfonyl)-1H-1,3-benzodiazole-2-thiol?
You can request a quote for 1-ethyl-5-(piperidine-1-sulfonyl)-1H-1,3-benzodiazole-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-ethyl-5-(piperidine-1-sulfonyl)-1H-1,3-benzodiazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 1-ethyl-5-(piperidine-1-sulfonyl)-1H-1,3-benzodiazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.