3-(1-piperidinylcarbothioyl)-1H-indole
TL;DR: 3-(1-piperidinylcarbothioyl)-1H-indole (CAS 54921-46-9) is a chemical compound with molecular formula C14H16N2S and molecular weight 244.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1H-indol-3-yl(piperidin-1-yl)methanethione
Also Known As: 3-(1-piperidinylcarbothioyl)-1H-indole, 1H-indol-3-yl(piperidin-1-yl)methanethione, 1H-indol-3-yl(1-piperidyl)methanethione, NCI60_032534, 3-(piperidin-1-ylcarbonothioyl)-1h-indole
| Molecular Formula | C14H16N2S |
|---|---|
| Molecular Weight | 244.10 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 51.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 244.10342 |
| Heavy Atoms | 17 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 54921-46-9 |
|---|---|
| SMILES | C1CCN(CC1)C(=S)C2=CNC3=CC=CC=C32 |
| InChIKey | CENUPWPJGBFRJM-UHFFFAOYSA-N |
Product Overview
3-(1-piperidinylcarbothioyl)-1H-indole (CAS 54921-46-9), with molecular formula C14H16N2S and molecular weight 244.10 g/mol. IUPAC: 1H-indol-3-yl(piperidin-1-yl)methanethione.
Chemical Property Profile of 3-(1-piperidinylcarbothioyl)-1H-indole
Property Insights of 3-(1-piperidinylcarbothioyl)-1H-indole
The XLogP value of 3.4 indicates that 3-(1-piperidinylcarbothioyl)-1H-indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.1 Ų, 3-(1-piperidinylcarbothioyl)-1H-indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1-piperidinylcarbothioyl)-1H-indole 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 3-(1-piperidinylcarbothioyl)-1H-indole?
The CAS number of 3-(1-piperidinylcarbothioyl)-1H-indole is 54921-46-9.
What is the molecular formula of 3-(1-piperidinylcarbothioyl)-1H-indole?
The molecular formula of 3-(1-piperidinylcarbothioyl)-1H-indole is C14H16N2S.
What is the molecular weight of 3-(1-piperidinylcarbothioyl)-1H-indole?
The molecular weight of 3-(1-piperidinylcarbothioyl)-1H-indole is 244.10 g/mol.
Where can I buy 3-(1-piperidinylcarbothioyl)-1H-indole?
You can request a quote for 3-(1-piperidinylcarbothioyl)-1H-indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1-piperidinylcarbothioyl)-1H-indole?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-piperidinylcarbothioyl)-1H-indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.