N-(4-fluorophenyl)-1-pyrrolidinecarbothioamide
TL;DR: N-(4-fluorophenyl)-1-pyrrolidinecarbothioamide (CAS 6232-83-3) is a chemical compound with molecular formula C11H13FN2S and molecular weight 224.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-fluorophenyl)pyrrolidine-1-carbothioamide
Also Known As: MixCom6_002405, N-(4-fluorophenyl)-1-pyrrolidinecarbothioamide, N-(4-fluorophenyl)pyrrolidine-1-carbothioamide, BIM-0047532.P001, [(4-fluorophenyl)amino]pyrrolidinylmethane-1-thione
| Molecular Formula | C11H13FN2S |
|---|---|
| Molecular Weight | 224.08 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 47.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 224.07835 |
| Heavy Atoms | 15 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 6232-83-3 |
|---|---|
| SMILES | C1CCN(C1)C(=S)NC2=CC=C(C=C2)F |
| InChIKey | RSDGTYCVRPYQMS-UHFFFAOYSA-N |
Product Overview
N-(4-fluorophenyl)-1-pyrrolidinecarbothioamide (CAS 6232-83-3), with molecular formula C11H13FN2S and molecular weight 224.08 g/mol. IUPAC: N-(4-fluorophenyl)pyrrolidine-1-carbothioamide.
Chemical Property Profile of N-(4-fluorophenyl)-1-pyrrolidinecarbothioamide
Property Insights of N-(4-fluorophenyl)-1-pyrrolidinecarbothioamide
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-fluorophenyl)-1-pyrrolidinecarbothioamide. With a topological polar surface area (TPSA) of 47.4 Ų, N-(4-fluorophenyl)-1-pyrrolidinecarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-fluorophenyl)-1-pyrrolidinecarbothioamide has 1 hydrogen bond donor(s) and 2 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-(4-fluorophenyl)-1-pyrrolidinecarbothioamide?
The CAS number of N-(4-fluorophenyl)-1-pyrrolidinecarbothioamide is 6232-83-3.
What is the molecular formula of N-(4-fluorophenyl)-1-pyrrolidinecarbothioamide?
The molecular formula of N-(4-fluorophenyl)-1-pyrrolidinecarbothioamide is C11H13FN2S.
What is the molecular weight of N-(4-fluorophenyl)-1-pyrrolidinecarbothioamide?
The molecular weight of N-(4-fluorophenyl)-1-pyrrolidinecarbothioamide is 224.08 g/mol.
Where can I buy N-(4-fluorophenyl)-1-pyrrolidinecarbothioamide?
You can request a quote for N-(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-(4-fluorophenyl)-1-pyrrolidinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-fluorophenyl)-1-pyrrolidinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.