![S-[2-(3-fluoroanilino)-2-oxoethyl] carbamothioate structure](/static/products/5949/5949-71-3.webp)
S-[2-(3-fluoroanilino)-2-oxoethyl] carbamothioate
TL;DR: S-[2-(3-fluoroanilino)-2-oxoethyl] carbamothioate (CAS 5949-71-3) is a chemical compound with molecular formula C9H9FN2O2S and molecular weight 228.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[2-(3-fluoroanilino)-2-oxoethyl] carbamothioate
Also Known As: S-[2-(3-fluoroanilino)-2-oxoethyl] carbamothioate, BIM-0009799.P001, S-{2-[(3-fluorophenyl)amino]-2-oxoethyl} thiocarbamate
| Molecular Formula | C9H9FN2O2S |
|---|---|
| Molecular Weight | 228.04 g/mol |
| LogP | 1.5761 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.03688 |
| Heavy Atoms | 15 |
| Complexity | 384.13004 |
Chemical Identifiers
| CAS Number | 5949-71-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)NC(=O)CSC(=O)N |
Product Overview
S-[2-(3-fluoroanilino)-2-oxoethyl] carbamothioate (CAS 5949-71-3), with molecular formula C9H9FN2O2S and molecular weight 228.04 g/mol. IUPAC: S-[2-(3-fluoroanilino)-2-oxoethyl] carbamothioate.
Chemical Property Profile of S-[2-(3-fluoroanilino)-2-oxoethyl] carbamothioate
Property Insights of S-[2-(3-fluoroanilino)-2-oxoethyl] carbamothioate
The XLogP value of 1.5761 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-[2-(3-fluoroanilino)-2-oxoethyl] carbamothioate. The TPSA of 72.19 Ų falls within the moderate polarity range, balancing permeability and solubility for S-[2-(3-fluoroanilino)-2-oxoethyl] carbamothioate. Following Lipinski's Rule of Five, S-[2-(3-fluoroanilino)-2-oxoethyl] carbamothioate has 2 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 S-[2-(3-fluoroanilino)-2-oxoethyl] carbamothioate?
The CAS number of S-[2-(3-fluoroanilino)-2-oxoethyl] carbamothioate is 5949-71-3.
What is the molecular formula of S-[2-(3-fluoroanilino)-2-oxoethyl] carbamothioate?
The molecular formula of S-[2-(3-fluoroanilino)-2-oxoethyl] carbamothioate is C9H9FN2O2S.
What is the molecular weight of S-[2-(3-fluoroanilino)-2-oxoethyl] carbamothioate?
The molecular weight of S-[2-(3-fluoroanilino)-2-oxoethyl] carbamothioate is 228.04 g/mol.
Where can I buy S-[2-(3-fluoroanilino)-2-oxoethyl] carbamothioate?
You can request a quote for S-[2-(3-fluoroanilino)-2-oxoethyl] carbamothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-[2-(3-fluoroanilino)-2-oxoethyl] carbamothioate?
Yes, KEHONG BIO provides custom synthesis services for S-[2-(3-fluoroanilino)-2-oxoethyl] carbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.