(4-Nitrophenyl)-pyrrolidin-1-ylmethanethione
TL;DR: (4-Nitrophenyl)-pyrrolidin-1-ylmethanethione (CAS 50903-06-5) is a chemical compound with molecular formula C11H12N2O2S and molecular weight 236.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl)-pyrrolidin-1-ylmethanethione
Also Known As: 1-{4-Nitrobenzothioyl}, 1-(4-nitro-thiobenzoyl)-pyrrolidine, (4-nitrophenyl)-pyrrolidin-1-ylmethanethione, 1-{4-nitrobenzothioyl}pyrrolidine, 1-(4-Nitrothiobenzoyl)pyrrolidine
| Molecular Formula | C11H12N2O2S |
|---|---|
| Molecular Weight | 236.06 g/mol |
| LogP | 2.3661 |
| Topological Polar Surface Area | 46.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.06195 |
| Heavy Atoms | 16 |
| Complexity | 410.49768 |
Chemical Identifiers
| CAS Number | 50903-06-5 |
|---|---|
| SMILES | C1CCN(C1)C(=S)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
(4-Nitrophenyl)-pyrrolidin-1-ylmethanethione (CAS 50903-06-5), with molecular formula C11H12N2O2S and molecular weight 236.06 g/mol. IUPAC: (4-nitrophenyl)-pyrrolidin-1-ylmethanethione.
Chemical Property Profile of (4-Nitrophenyl)-pyrrolidin-1-ylmethanethione
Property Insights of (4-Nitrophenyl)-pyrrolidin-1-ylmethanethione
The XLogP value of 2.3661 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Nitrophenyl)-pyrrolidin-1-ylmethanethione. With a topological polar surface area (TPSA) of 46.38 Ų, (4-Nitrophenyl)-pyrrolidin-1-ylmethanethione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Nitrophenyl)-pyrrolidin-1-ylmethanethione 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 (4-Nitrophenyl)-pyrrolidin-1-ylmethanethione?
The CAS number of (4-Nitrophenyl)-pyrrolidin-1-ylmethanethione is 50903-06-5.
What is the molecular formula of (4-Nitrophenyl)-pyrrolidin-1-ylmethanethione?
The molecular formula of (4-Nitrophenyl)-pyrrolidin-1-ylmethanethione is C11H12N2O2S.
What is the molecular weight of (4-Nitrophenyl)-pyrrolidin-1-ylmethanethione?
The molecular weight of (4-Nitrophenyl)-pyrrolidin-1-ylmethanethione is 236.06 g/mol.
Where can I buy (4-Nitrophenyl)-pyrrolidin-1-ylmethanethione?
You can request a quote for (4-Nitrophenyl)-pyrrolidin-1-ylmethanethione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Nitrophenyl)-pyrrolidin-1-ylmethanethione?
Yes, KEHONG BIO provides custom synthesis services for (4-Nitrophenyl)-pyrrolidin-1-ylmethanethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.