![[3-Chloro-4-[(4-nitrophenyl)methoxy]phenyl]-1-pyrrolidinylmethanethione structure](/static/products/1022/1022873-07-9.webp)
[3-Chloro-4-[(4-nitrophenyl)methoxy]phenyl]-1-pyrrolidinylmethanethione
TL;DR: [3-Chloro-4-[(4-nitrophenyl)methoxy]phenyl]-1-pyrrolidinylmethanethione (CAS 1022873-07-9) is a chemical compound with molecular formula C18H17ClN2O3S and molecular weight 376.06485 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-chloro-4-[(4-nitrophenyl)methoxy]phenyl]-pyrrolidin-1-ylmethanethione
Also Known As: [3-Chloro-4-[(4-nitrophenyl)methoxy]phenyl]-1-pyrrolidinylmethanethione|[3-chloro-4-[(4-nitrophenyl)methoxy]phenyl]-pyrrolidin-1-yl-methanethione|[3-chloro-4-[(4-nitrophenyl)methoxy]phenyl]-pyrrolidin-1-ylmethanethione|{3-Chloro-4-[(4-nitrophenyl)methoxy]phenyl}(pyrrolidin-1-yl)methanethione
Technical Specifications
| Molecular Formula | C18H17ClN2O3S |
| Molecular Weight | 376.06485 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 90.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 376.06485 Da |
| Heavy Atoms | 25 |
| Complexity | 473.0 |
| SMILES | C1CCN(C1)C(=S)C2=CC(=C(C=C2)OCC3=CC=C(C=C3)[N+](=O)[O-])Cl |
| InChIKey | QLAAHVDWCIPKMT-UHFFFAOYSA-N |
Chemical Property Profile of [3-Chloro-4-[(4-nitrophenyl)methoxy]phenyl]-1-pyrrolidinylmethanethione
Property Insights of [3-Chloro-4-[(4-nitrophenyl)methoxy]phenyl]-1-pyrrolidinylmethanethione
The XLogP value of 4.4 indicates that [3-Chloro-4-[(4-nitrophenyl)methoxy]phenyl]-1-pyrrolidinylmethanethione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.4 Ų falls within the moderate polarity range, balancing permeability and solubility for [3-Chloro-4-[(4-nitrophenyl)methoxy]phenyl]-1-pyrrolidinylmethanethione. Following Lipinski's Rule of Five, [3-Chloro-4-[(4-nitrophenyl)methoxy]phenyl]-1-pyrrolidinylmethanethione has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of [3-Chloro-4-[(4-nitrophenyl)methoxy]phenyl]-1-pyrrolidinylmethanethione?
The CAS number of [3-Chloro-4-[(4-nitrophenyl)methoxy]phenyl]-1-pyrrolidinylmethanethione is 1022873-07-9.
What is the molecular formula of [3-Chloro-4-[(4-nitrophenyl)methoxy]phenyl]-1-pyrrolidinylmethanethione?
The molecular formula of [3-Chloro-4-[(4-nitrophenyl)methoxy]phenyl]-1-pyrrolidinylmethanethione is C18H17ClN2O3S.
What is the molecular weight of [3-Chloro-4-[(4-nitrophenyl)methoxy]phenyl]-1-pyrrolidinylmethanethione?
The molecular weight of [3-Chloro-4-[(4-nitrophenyl)methoxy]phenyl]-1-pyrrolidinylmethanethione is 376.06485 g/mol.
Where can I buy [3-Chloro-4-[(4-nitrophenyl)methoxy]phenyl]-1-pyrrolidinylmethanethione?
You can request a quote for [3-Chloro-4-[(4-nitrophenyl)methoxy]phenyl]-1-pyrrolidinylmethanethione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for [3-Chloro-4-[(4-nitrophenyl)methoxy]phenyl]-1-pyrrolidinylmethanethione?
Yes, CoreyChem provides custom synthesis services for [3-Chloro-4-[(4-nitrophenyl)methoxy]phenyl]-1-pyrrolidinylmethanethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.