N-(2-chloro-5-nitrophenyl)pyrrolidine-1-carbothioamide
TL;DR: N-(2-chloro-5-nitrophenyl)pyrrolidine-1-carbothioamide (CAS 794582-90-4) is a chemical compound with molecular formula C11H12ClN3O2S and molecular weight 285.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-chloro-5-nitrophenyl)pyrrolidine-1-carbothioamide
Also Known As: N-(2-chloro-5-nitrophenyl)pyrrolidine-1-carbothioamide
| Molecular Formula | C11H12ClN3O2S |
|---|---|
| Molecular Weight | 285.03 g/mol |
| LogP | 3.0408 |
| Topological Polar Surface Area | 58.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 285.03387 |
| Heavy Atoms | 18 |
| Complexity | 489.1767 |
Chemical Identifiers
| CAS Number | 794582-90-4 |
|---|---|
| SMILES | C1CCN(C1)C(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl |
Product Overview
N-(2-chloro-5-nitrophenyl)pyrrolidine-1-carbothioamide (CAS 794582-90-4), with molecular formula C11H12ClN3O2S and molecular weight 285.03 g/mol. IUPAC: N-(2-chloro-5-nitrophenyl)pyrrolidine-1-carbothioamide.
Chemical Property Profile of N-(2-chloro-5-nitrophenyl)pyrrolidine-1-carbothioamide
Property Insights of N-(2-chloro-5-nitrophenyl)pyrrolidine-1-carbothioamide
The XLogP value of 3.0408 indicates that N-(2-chloro-5-nitrophenyl)pyrrolidine-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.41 Ų, N-(2-chloro-5-nitrophenyl)pyrrolidine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-chloro-5-nitrophenyl)pyrrolidine-1-carbothioamide 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 N-(2-chloro-5-nitrophenyl)pyrrolidine-1-carbothioamide?
The CAS number of N-(2-chloro-5-nitrophenyl)pyrrolidine-1-carbothioamide is 794582-90-4.
What is the molecular formula of N-(2-chloro-5-nitrophenyl)pyrrolidine-1-carbothioamide?
The molecular formula of N-(2-chloro-5-nitrophenyl)pyrrolidine-1-carbothioamide is C11H12ClN3O2S.
What is the molecular weight of N-(2-chloro-5-nitrophenyl)pyrrolidine-1-carbothioamide?
The molecular weight of N-(2-chloro-5-nitrophenyl)pyrrolidine-1-carbothioamide is 285.03 g/mol.
Where can I buy N-(2-chloro-5-nitrophenyl)pyrrolidine-1-carbothioamide?
You can request a quote for N-(2-chloro-5-nitrophenyl)pyrrolidine-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-chloro-5-nitrophenyl)pyrrolidine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-chloro-5-nitrophenyl)pyrrolidine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.