Ethanethioic acid, chlorofluoronitro-, S-butyl ester
TL;DR: Ethanethioic acid, chlorofluoronitro-, S-butyl ester (CAS 118885-89-5) is a chemical compound with molecular formula C6H9ClFNO3S and molecular weight 229.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-butan-2-yl 2-chloro-2-fluoro-2-nitroethanethioate
Also Known As: Chlorofluoronitroethanethioic acid S-butyl ester, Ethanethioic acid, chlorofluoronitro-, S-butyl ester, O-Butan-2-yl chloro(fluoro)nitroethanethioate, O-(Butan-2-yl) chloro(fluoro)(nitro)ethanethioate, O-butan-2-yl 2-chloro-2-fluoro-2-nitroethanethioate
| Molecular Formula | C6H9ClFNO3S |
|---|---|
| Molecular Weight | 229.00 g/mol |
| LogP | 2.2677 |
| Topological Polar Surface Area | 52.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 228.99757 |
| Heavy Atoms | 13 |
| Complexity | 223.9249 |
Chemical Identifiers
| CAS Number | 118885-89-5 |
|---|---|
| SMILES | CCC(C)OC(=S)C([N+](=O)[O-])(F)Cl |
Product Overview
Ethanethioic acid, chlorofluoronitro-, S-butyl ester (CAS 118885-89-5), with molecular formula C6H9ClFNO3S and molecular weight 229.00 g/mol. IUPAC: O-butan-2-yl 2-chloro-2-fluoro-2-nitroethanethioate.
Chemical Property Profile of Ethanethioic acid, chlorofluoronitro-, S-butyl ester
Property Insights of Ethanethioic acid, chlorofluoronitro-, S-butyl ester
The XLogP value of 2.2677 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanethioic acid, chlorofluoronitro-, S-butyl ester. With a topological polar surface area (TPSA) of 52.37 Ų, Ethanethioic acid, chlorofluoronitro-, S-butyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanethioic acid, chlorofluoronitro-, S-butyl ester has 0 hydrogen bond donor(s) and 4 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-butyl ester?
The CAS number of Ethanethioic acid, chlorofluoronitro-, S-butyl ester is 118885-89-5.
What is the molecular formula of Ethanethioic acid, chlorofluoronitro-, S-butyl ester?
The molecular formula of Ethanethioic acid, chlorofluoronitro-, S-butyl ester is C6H9ClFNO3S.
What is the molecular weight of Ethanethioic acid, chlorofluoronitro-, S-butyl ester?
The molecular weight of Ethanethioic acid, chlorofluoronitro-, S-butyl ester is 229.00 g/mol.
Where can I buy Ethanethioic acid, chlorofluoronitro-, S-butyl ester?
You can request a quote for Ethanethioic acid, chlorofluoronitro-, S-butyl 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-butyl ester?
Yes, KEHONG BIO provides custom synthesis services for Ethanethioic acid, chlorofluoronitro-, S-butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.