2-(4,5-Dihydro-1H-pyrrol-2-YL)benzenethiol
TL;DR: 2-(4,5-Dihydro-1H-pyrrol-2-YL)benzenethiol (CAS 618069-71-9) is a chemical compound with molecular formula C10H11NS and molecular weight 177.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,3-dihydro-1H-pyrrol-5-yl)benzenethiol
Also Known As: 2-(4,5-dihydro-1H-pyrrol-2-yl)benzenethiol, 2-(2,3-dihydro-1H-pyrrol-5-yl)benzenethiol, 632-694-1, RefChem:456013
| Molecular Formula | C10H11NS |
|---|---|
| Molecular Weight | 177.06 g/mol |
| LogP | 2.3095 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 177.06122 |
| Heavy Atoms | 12 |
| Complexity | 317.36954 |
Chemical Identifiers
| CAS Number | 618069-71-9 |
|---|---|
| SMILES | C1CNC(=C1)C2=CC=CC=C2S |
Product Overview
2-(4,5-Dihydro-1H-pyrrol-2-YL)benzenethiol (CAS 618069-71-9), with molecular formula C10H11NS and molecular weight 177.06 g/mol. IUPAC: 2-(2,3-dihydro-1H-pyrrol-5-yl)benzenethiol.
Chemical Property Profile of 2-(4,5-Dihydro-1H-pyrrol-2-YL)benzenethiol
Property Insights of 2-(4,5-Dihydro-1H-pyrrol-2-YL)benzenethiol
The XLogP value of 2.3095 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4,5-Dihydro-1H-pyrrol-2-YL)benzenethiol. With a topological polar surface area (TPSA) of 12.03 Ų, 2-(4,5-Dihydro-1H-pyrrol-2-YL)benzenethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4,5-Dihydro-1H-pyrrol-2-YL)benzenethiol 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 2-(4,5-Dihydro-1H-pyrrol-2-YL)benzenethiol?
The CAS number of 2-(4,5-Dihydro-1H-pyrrol-2-YL)benzenethiol is 618069-71-9.
What is the molecular formula of 2-(4,5-Dihydro-1H-pyrrol-2-YL)benzenethiol?
The molecular formula of 2-(4,5-Dihydro-1H-pyrrol-2-YL)benzenethiol is C10H11NS.
What is the molecular weight of 2-(4,5-Dihydro-1H-pyrrol-2-YL)benzenethiol?
The molecular weight of 2-(4,5-Dihydro-1H-pyrrol-2-YL)benzenethiol is 177.06 g/mol.
Where can I buy 2-(4,5-Dihydro-1H-pyrrol-2-YL)benzenethiol?
You can request a quote for 2-(4,5-Dihydro-1H-pyrrol-2-YL)benzenethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4,5-Dihydro-1H-pyrrol-2-YL)benzenethiol?
Yes, KEHONG BIO provides custom synthesis services for 2-(4,5-Dihydro-1H-pyrrol-2-YL)benzenethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.