N-(3-fluorophenyl)-2,6-dimethylmorpholine-4-carbothioamide
TL;DR: N-(3-fluorophenyl)-2,6-dimethylmorpholine-4-carbothioamide (CAS 690686-45-4) is a chemical compound with molecular formula C13H17FN2OS and molecular weight 268.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-fluorophenyl)-2,6-dimethylmorpholine-4-carbothioamide
Also Known As: N-(3-fluorophenyl)-2,6-dimethylmorpholine-4-carbothioamide
| Molecular Formula | C13H17FN2OS |
|---|---|
| Molecular Weight | 268.10 g/mol |
| LogP | 2.6317 |
| Topological Polar Surface Area | 24.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 268.10455 |
| Heavy Atoms | 18 |
| Complexity | 430.75436 |
Chemical Identifiers
| CAS Number | 690686-45-4 |
|---|---|
| SMILES | CC1CN(CC(O1)C)C(=S)NC2=CC(=CC=C2)F |
Product Overview
N-(3-fluorophenyl)-2,6-dimethylmorpholine-4-carbothioamide (CAS 690686-45-4), with molecular formula C13H17FN2OS and molecular weight 268.10 g/mol. IUPAC: N-(3-fluorophenyl)-2,6-dimethylmorpholine-4-carbothioamide.
Chemical Property Profile of N-(3-fluorophenyl)-2,6-dimethylmorpholine-4-carbothioamide
Property Insights of N-(3-fluorophenyl)-2,6-dimethylmorpholine-4-carbothioamide
The XLogP value of 2.6317 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-fluorophenyl)-2,6-dimethylmorpholine-4-carbothioamide. With a topological polar surface area (TPSA) of 24.5 Ų, N-(3-fluorophenyl)-2,6-dimethylmorpholine-4-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-fluorophenyl)-2,6-dimethylmorpholine-4-carbothioamide 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-(3-fluorophenyl)-2,6-dimethylmorpholine-4-carbothioamide?
The CAS number of N-(3-fluorophenyl)-2,6-dimethylmorpholine-4-carbothioamide is 690686-45-4.
What is the molecular formula of N-(3-fluorophenyl)-2,6-dimethylmorpholine-4-carbothioamide?
The molecular formula of N-(3-fluorophenyl)-2,6-dimethylmorpholine-4-carbothioamide is C13H17FN2OS.
What is the molecular weight of N-(3-fluorophenyl)-2,6-dimethylmorpholine-4-carbothioamide?
The molecular weight of N-(3-fluorophenyl)-2,6-dimethylmorpholine-4-carbothioamide is 268.10 g/mol.
Where can I buy N-(3-fluorophenyl)-2,6-dimethylmorpholine-4-carbothioamide?
You can request a quote for N-(3-fluorophenyl)-2,6-dimethylmorpholine-4-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-fluorophenyl)-2,6-dimethylmorpholine-4-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-fluorophenyl)-2,6-dimethylmorpholine-4-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.