N-(3-Nitro-thiobenzoyl)-piperidine
TL;DR: N-(3-Nitro-thiobenzoyl)-piperidine (CAS 62764-89-0) is a chemical compound with molecular formula C12H14N2O2S and molecular weight 250.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-nitrophenyl)-piperidin-1-ylmethanethione
Also Known As: m-Nitrothiobenzopiperidide, N-(3-Nitro-thiobenzoyl)-piperidine, 3-Nitro-thiobenzoesaeure-piperidid, 1-(3-nitro-thiobenzoyl)-piperidine, 1-(3-Nitrobenzothioyl)piperidine #
| Molecular Formula | C12H14N2O2S |
|---|---|
| Molecular Weight | 250.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 81.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 250.0776 |
| Heavy Atoms | 17 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 62764-89-0 |
|---|---|
| SMILES | C1CCN(CC1)C(=S)C2=CC(=CC=C2)[N+](=O)[O-] |
| InChIKey | HJPBZJUHGLQOIN-UHFFFAOYSA-N |
Product Overview
N-(3-Nitro-thiobenzoyl)-piperidine (CAS 62764-89-0), with molecular formula C12H14N2O2S and molecular weight 250.08 g/mol. IUPAC: (3-nitrophenyl)-piperidin-1-ylmethanethione.
Chemical Property Profile of N-(3-Nitro-thiobenzoyl)-piperidine
Property Insights of N-(3-Nitro-thiobenzoyl)-piperidine
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-Nitro-thiobenzoyl)-piperidine. The TPSA of 81.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-Nitro-thiobenzoyl)-piperidine. Following Lipinski's Rule of Five, N-(3-Nitro-thiobenzoyl)-piperidine has 0 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 N-(3-Nitro-thiobenzoyl)-piperidine?
The CAS number of N-(3-Nitro-thiobenzoyl)-piperidine is 62764-89-0.
What is the molecular formula of N-(3-Nitro-thiobenzoyl)-piperidine?
The molecular formula of N-(3-Nitro-thiobenzoyl)-piperidine is C12H14N2O2S.
What is the molecular weight of N-(3-Nitro-thiobenzoyl)-piperidine?
The molecular weight of N-(3-Nitro-thiobenzoyl)-piperidine is 250.08 g/mol.
Where can I buy N-(3-Nitro-thiobenzoyl)-piperidine?
You can request a quote for N-(3-Nitro-thiobenzoyl)-piperidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-Nitro-thiobenzoyl)-piperidine?
Yes, KEHONG BIO provides custom synthesis services for N-(3-Nitro-thiobenzoyl)-piperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.