Thiocyanic acid, 3-fluoropropyl ester
TL;DR: Thiocyanic acid, 3-fluoropropyl ester (CAS 408-00-4) is a chemical compound with molecular formula C4H6FNS and molecular weight 119.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-fluoropropyl thiocyanate
Also Known As: 3-Fluoropropyl thiocyanate, Thiocyanic acid, 3-fluoropropyl ester, Thiocyanicacid3-fluoropropylester, 1-Fluor-3-thiocyanato-propan, 1-Fluoro-3-(cyanothio)propane
| Molecular Formula | C4H6FNS |
|---|---|
| Molecular Weight | 119.02 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 119.0205 |
| Heavy Atoms | 7 |
| Complexity | 75.0 |
Chemical Identifiers
| CAS Number | 408-00-4 |
|---|---|
| SMILES | C(CF)CSC#N |
| InChIKey | BQNDVYLVJFLZRV-UHFFFAOYSA-N |
Product Overview
Thiocyanic acid, 3-fluoropropyl ester (CAS 408-00-4), with molecular formula C4H6FNS and molecular weight 119.02 g/mol. IUPAC: 3-fluoropropyl thiocyanate.
Chemical Property Profile of Thiocyanic acid, 3-fluoropropyl ester
Property Insights of Thiocyanic acid, 3-fluoropropyl ester
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiocyanic acid, 3-fluoropropyl ester. With a topological polar surface area (TPSA) of 49.1 Ų, Thiocyanic acid, 3-fluoropropyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiocyanic acid, 3-fluoropropyl 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 Thiocyanic acid, 3-fluoropropyl ester?
The CAS number of Thiocyanic acid, 3-fluoropropyl ester is 408-00-4.
What is the molecular formula of Thiocyanic acid, 3-fluoropropyl ester?
The molecular formula of Thiocyanic acid, 3-fluoropropyl ester is C4H6FNS.
What is the molecular weight of Thiocyanic acid, 3-fluoropropyl ester?
The molecular weight of Thiocyanic acid, 3-fluoropropyl ester is 119.02 g/mol.
Where can I buy Thiocyanic acid, 3-fluoropropyl ester?
You can request a quote for Thiocyanic acid, 3-fluoropropyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiocyanic acid, 3-fluoropropyl ester?
Yes, KEHONG BIO provides custom synthesis services for Thiocyanic acid, 3-fluoropropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.