S-Benzyl N-(2-fluorophenyl)thiocarbamate
TL;DR: S-Benzyl N-(2-fluorophenyl)thiocarbamate (CAS 112434-09-0) is a chemical compound with molecular formula C14H12FNOS and molecular weight 261.06238 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
S-benzyl N-(2-fluorophenyl)carbamothioate
Also Known As: S-BENZYL N-(2-FLUOROPHENYL)THIOCARBAMATE, S-benzyl N-(2-fluorophenyl)carbamothioate, 1-benzylsulfanyl-N-(2-fluorophenyl)formamide, 668-730-8
Technical Specifications
| Molecular Formula | C14H12FNOS |
| Molecular Weight | 261.06238 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 261.06238 Da |
| Heavy Atoms | 18 |
| Complexity | 269.0 |
| SMILES | C1=CC=C(C=C1)CSC(=O)NC2=CC=CC=C2F |
| InChIKey | KTRJISZPYJPNAK-UHFFFAOYSA-N |
Chemical Property Profile of S-Benzyl N-(2-fluorophenyl)thiocarbamate
Property Insights of S-Benzyl N-(2-fluorophenyl)thiocarbamate
The XLogP value of 3.4 indicates that S-Benzyl N-(2-fluorophenyl)thiocarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, S-Benzyl N-(2-fluorophenyl)thiocarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-Benzyl N-(2-fluorophenyl)thiocarbamate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of S-Benzyl N-(2-fluorophenyl)thiocarbamate?
The CAS number of S-Benzyl N-(2-fluorophenyl)thiocarbamate is 112434-09-0.
What is the molecular formula of S-Benzyl N-(2-fluorophenyl)thiocarbamate?
The molecular formula of S-Benzyl N-(2-fluorophenyl)thiocarbamate is C14H12FNOS.
What is the molecular weight of S-Benzyl N-(2-fluorophenyl)thiocarbamate?
The molecular weight of S-Benzyl N-(2-fluorophenyl)thiocarbamate is 261.06238 g/mol.
Where can I buy S-Benzyl N-(2-fluorophenyl)thiocarbamate?
You can request a quote for S-Benzyl N-(2-fluorophenyl)thiocarbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for S-Benzyl N-(2-fluorophenyl)thiocarbamate?
Yes, CoreyChem provides custom synthesis services for S-Benzyl N-(2-fluorophenyl)thiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.