Ethanethioic acid, chlorofluoronitro-, S-ethyl ester
TL;DR: Ethanethioic acid, chlorofluoronitro-, S-ethyl ester (CAS 1683-92-7) is a chemical compound with molecular formula C4H5ClFNO3S and molecular weight 200.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-ethyl 2-chloro-2-fluoro-2-nitroethanethioate
Also Known As: s-ethyl chloro(fluoro)nitroethanethioate, Chlorofluoronitroethanethioic acid S-ethyl ester, Ethanethioic acid, chlorofluoronitro-, S-ethyl ester, S-Ethyl chloro(fluoro)(nitro)ethanethioate, S-ethyl 2-chloro-2-fluoro-2-nitroethanethioate
| Molecular Formula | C4H5ClFNO3S |
|---|---|
| Molecular Weight | 200.97 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 88.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 200.96626 |
| Heavy Atoms | 11 |
| Complexity | 185.0 |
Chemical Identifiers
| CAS Number | 1683-92-7 |
|---|---|
| SMILES | CCSC(=O)C([N+](=O)[O-])(F)Cl |
| InChIKey | VTJURGVSTCFTGO-UHFFFAOYSA-N |
Product Overview
Ethanethioic acid, chlorofluoronitro-, S-ethyl ester (CAS 1683-92-7), with molecular formula C4H5ClFNO3S and molecular weight 200.97 g/mol. IUPAC: S-ethyl 2-chloro-2-fluoro-2-nitroethanethioate.
Chemical Property Profile of Ethanethioic acid, chlorofluoronitro-, S-ethyl ester
Property Insights of Ethanethioic acid, chlorofluoronitro-, S-ethyl ester
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanethioic acid, chlorofluoronitro-, S-ethyl ester. The TPSA of 88.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanethioic acid, chlorofluoronitro-, S-ethyl ester. Following Lipinski's Rule of Five, Ethanethioic acid, chlorofluoronitro-, S-ethyl ester has 0 hydrogen bond donor(s) and 5 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 Ethanethioic acid, chlorofluoronitro-, S-ethyl ester?
The CAS number of Ethanethioic acid, chlorofluoronitro-, S-ethyl ester is 1683-92-7.
What is the molecular formula of Ethanethioic acid, chlorofluoronitro-, S-ethyl ester?
The molecular formula of Ethanethioic acid, chlorofluoronitro-, S-ethyl ester is C4H5ClFNO3S.
What is the molecular weight of Ethanethioic acid, chlorofluoronitro-, S-ethyl ester?
The molecular weight of Ethanethioic acid, chlorofluoronitro-, S-ethyl ester is 200.97 g/mol.
Where can I buy Ethanethioic acid, chlorofluoronitro-, S-ethyl ester?
You can request a quote for Ethanethioic acid, chlorofluoronitro-, S-ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanethioic acid, chlorofluoronitro-, S-ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Ethanethioic acid, chlorofluoronitro-, S-ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.