Acetic acid, fluorothio-, S-(2-chloroethyl) ester
TL;DR: Acetic acid, fluorothio-, S-(2-chloroethyl) ester (CAS 406-27-9) is a chemical compound with molecular formula C4H6ClFOS and molecular weight 155.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(2-chloroethyl) 2-fluoroethanethioate
Also Known As: 2-Chloroethyl fluorothiolacetate, S-(2-chloroethyl) 2-fluoroethanethioate, s-(2-chloroethyl) fluoroethanethioate, Fluorothioacetic acid S-(2-chloroethyl) ester, ACETIC ACID, FLUOROTHIO-, S-(2-CHLOROETHYL) ESTER
| Molecular Formula | C4H6ClFOS |
|---|---|
| Molecular Weight | 155.98 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 155.98119 |
| Heavy Atoms | 8 |
| Complexity | 78.0 |
Chemical Identifiers
| CAS Number | 406-27-9 |
|---|---|
| SMILES | C(CCl)SC(=O)CF |
| InChIKey | WVIGZHKFISVJCL-UHFFFAOYSA-N |
Product Overview
Acetic acid, fluorothio-, S-(2-chloroethyl) ester (CAS 406-27-9), with molecular formula C4H6ClFOS and molecular weight 155.98 g/mol. IUPAC: S-(2-chloroethyl) 2-fluoroethanethioate.
Chemical Property Profile of Acetic acid, fluorothio-, S-(2-chloroethyl) ester
Property Insights of Acetic acid, fluorothio-, S-(2-chloroethyl) ester
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, fluorothio-, S-(2-chloroethyl) ester. With a topological polar surface area (TPSA) of 42.4 Ų, Acetic acid, fluorothio-, S-(2-chloroethyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, fluorothio-, S-(2-chloroethyl) ester has 0 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 Acetic acid, fluorothio-, S-(2-chloroethyl) ester?
The CAS number of Acetic acid, fluorothio-, S-(2-chloroethyl) ester is 406-27-9.
What is the molecular formula of Acetic acid, fluorothio-, S-(2-chloroethyl) ester?
The molecular formula of Acetic acid, fluorothio-, S-(2-chloroethyl) ester is C4H6ClFOS.
What is the molecular weight of Acetic acid, fluorothio-, S-(2-chloroethyl) ester?
The molecular weight of Acetic acid, fluorothio-, S-(2-chloroethyl) ester is 155.98 g/mol.
Where can I buy Acetic acid, fluorothio-, S-(2-chloroethyl) ester?
You can request a quote for Acetic acid, fluorothio-, S-(2-chloroethyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, fluorothio-, S-(2-chloroethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, fluorothio-, S-(2-chloroethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.