N-(3-chloro-4-fluorophenyl)-1-pyrrolidinecarbothioamide
TL;DR: N-(3-chloro-4-fluorophenyl)-1-pyrrolidinecarbothioamide (CAS 356573-96-1) is a chemical compound with molecular formula C11H12ClFN2S and molecular weight 258.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-fluorophenyl)pyrrolidine-1-carbothioamide
Also Known As: N-(3-chloro-4-fluorophenyl)-1-pyrrolidinecarbothioamide, N-(3-chloro-4-fluorophenyl)pyrrolidine-1-carbothioamide
| Molecular Formula | C11H12ClFN2S |
|---|---|
| Molecular Weight | 258.04 g/mol |
| LogP | 3.2717 |
| Topological Polar Surface Area | 15.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 258.03937 |
| Heavy Atoms | 16 |
| Complexity | 404.97107 |
Chemical Identifiers
| CAS Number | 356573-96-1 |
|---|---|
| SMILES | C1CCN(C1)C(=S)NC2=CC(=C(C=C2)F)Cl |
Product Overview
N-(3-chloro-4-fluorophenyl)-1-pyrrolidinecarbothioamide (CAS 356573-96-1), with molecular formula C11H12ClFN2S and molecular weight 258.04 g/mol. IUPAC: N-(3-chloro-4-fluorophenyl)pyrrolidine-1-carbothioamide.
Chemical Property Profile of N-(3-chloro-4-fluorophenyl)-1-pyrrolidinecarbothioamide
Property Insights of N-(3-chloro-4-fluorophenyl)-1-pyrrolidinecarbothioamide
The XLogP value of 3.2717 indicates that N-(3-chloro-4-fluorophenyl)-1-pyrrolidinecarbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.27 Ų, N-(3-chloro-4-fluorophenyl)-1-pyrrolidinecarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-chloro-4-fluorophenyl)-1-pyrrolidinecarbothioamide 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 N-(3-chloro-4-fluorophenyl)-1-pyrrolidinecarbothioamide?
The CAS number of N-(3-chloro-4-fluorophenyl)-1-pyrrolidinecarbothioamide is 356573-96-1.
What is the molecular formula of N-(3-chloro-4-fluorophenyl)-1-pyrrolidinecarbothioamide?
The molecular formula of N-(3-chloro-4-fluorophenyl)-1-pyrrolidinecarbothioamide is C11H12ClFN2S.
What is the molecular weight of N-(3-chloro-4-fluorophenyl)-1-pyrrolidinecarbothioamide?
The molecular weight of N-(3-chloro-4-fluorophenyl)-1-pyrrolidinecarbothioamide is 258.04 g/mol.
Where can I buy N-(3-chloro-4-fluorophenyl)-1-pyrrolidinecarbothioamide?
You can request a quote for N-(3-chloro-4-fluorophenyl)-1-pyrrolidinecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-chloro-4-fluorophenyl)-1-pyrrolidinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-chloro-4-fluorophenyl)-1-pyrrolidinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.