O-Ethyl (4-fluorophenyl)carbamothioate
TL;DR: O-Ethyl (4-fluorophenyl)carbamothioate (CAS 404-47-7) is a chemical compound with molecular formula C9H10FNOS and molecular weight 199.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-ethyl N-(4-fluorophenyl)carbamothioate
Also Known As: 2,4'-Difluoroacetanilide, O-ethyl N-(4-fluorophenyl)carbamothioate, O-Ethyl (4-fluorophenyl)carbamothioate, 1-ethoxy-N-(4-fluorophenyl)methanethioamide, N-(4-FLUOROPHENYL)ETHOXYCARBOTHIOAMIDE
| Molecular Formula | C9H10FNOS |
|---|---|
| Molecular Weight | 199.05 g/mol |
| LogP | 2.559 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.0467 |
| Heavy Atoms | 13 |
| Complexity | 286.1711 |
Chemical Identifiers
| CAS Number | 404-47-7 |
|---|---|
| SMILES | CCOC(=S)NC1=CC=C(C=C1)F |
Product Overview
O-Ethyl (4-fluorophenyl)carbamothioate (CAS 404-47-7), with molecular formula C9H10FNOS and molecular weight 199.05 g/mol. IUPAC: O-ethyl N-(4-fluorophenyl)carbamothioate.
Chemical Property Profile of O-Ethyl (4-fluorophenyl)carbamothioate
Property Insights of O-Ethyl (4-fluorophenyl)carbamothioate
The XLogP value of 2.559 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-Ethyl (4-fluorophenyl)carbamothioate. With a topological polar surface area (TPSA) of 21.26 Ų, O-Ethyl (4-fluorophenyl)carbamothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-Ethyl (4-fluorophenyl)carbamothioate 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 O-Ethyl (4-fluorophenyl)carbamothioate?
The CAS number of O-Ethyl (4-fluorophenyl)carbamothioate is 404-47-7.
What is the molecular formula of O-Ethyl (4-fluorophenyl)carbamothioate?
The molecular formula of O-Ethyl (4-fluorophenyl)carbamothioate is C9H10FNOS.
What is the molecular weight of O-Ethyl (4-fluorophenyl)carbamothioate?
The molecular weight of O-Ethyl (4-fluorophenyl)carbamothioate is 199.05 g/mol.
Where can I buy O-Ethyl (4-fluorophenyl)carbamothioate?
You can request a quote for O-Ethyl (4-fluorophenyl)carbamothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-Ethyl (4-fluorophenyl)carbamothioate?
Yes, KEHONG BIO provides custom synthesis services for O-Ethyl (4-fluorophenyl)carbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.