Isothiocyanic acid, 6-fluorohexyl ester
TL;DR: Isothiocyanic acid, 6-fluorohexyl ester (CAS 334-52-1) is a chemical compound with molecular formula C7H12FNS and molecular weight 161.06744 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-fluoro-6-isothiocyanatohexane
Also Known As: 6-Fluorohexyl isothiocyanate, 1-fluoro-6-isothiocyanatohexane, 6-Fluor-hexylisothiocyanat, ISOTHIOCYANIC ACID, 6-FLUOROHEXYL ESTER, 4-04-00-00719 (Beilstein Handbook Reference)
Technical Specifications
| Molecular Formula | C7H12FNS |
| Molecular Weight | 161.06744 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 44.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 161.06744 Da |
| Heavy Atoms | 10 |
| Complexity | 110.0 |
| SMILES | C(CCCF)CCN=C=S |
| InChIKey | IAEURLMFXYVGGE-UHFFFAOYSA-N |
Product Description
Applications: Isothiocyanic acid, 6-fluorohexyl ester is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Isothiocyanic acid, 6-fluorohexyl ester (CAS 334-52-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A fine chemical supplied by CoreyChem, Isothiocyanic acid, 6-fluorohexyl ester (CAS 334-52-1) has the molecular formula C7H12FNS and a molecular weight of 161.07 g/mol. It is also known as 6-Fluorohexyl isothiocyanate and 1-fluoro-6-isothiocyanatohexane.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Isothiocyanic acid, 6-fluorohexyl ester
Property Insights of Isothiocyanic acid, 6-fluorohexyl ester
The XLogP value of 3.4 indicates that Isothiocyanic acid, 6-fluorohexyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.5 Ų, Isothiocyanic acid, 6-fluorohexyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isothiocyanic acid, 6-fluorohexyl 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
What is the CAS number of Isothiocyanic acid, 6-fluorohexyl ester?
The CAS number of Isothiocyanic acid, 6-fluorohexyl ester is 334-52-1.
What is the molecular formula of Isothiocyanic acid, 6-fluorohexyl ester?
The molecular formula of Isothiocyanic acid, 6-fluorohexyl ester is C7H12FNS.
What is the molecular weight of Isothiocyanic acid, 6-fluorohexyl ester?
The molecular weight of Isothiocyanic acid, 6-fluorohexyl ester is 161.06744 g/mol.
What are the applications of Isothiocyanic acid, 6-fluorohexyl ester?
Isothiocyanic acid, 6-fluorohexyl ester is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Isothiocyanic acid, 6-fluorohexyl ester (CAS 334-52-1) with custom synthesis available from milligram to...
Where can I buy Isothiocyanic acid, 6-fluorohexyl ester?
You can request a quote for Isothiocyanic acid, 6-fluorohexyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isothiocyanic acid, 6-fluorohexyl ester?
Yes, CoreyChem provides custom synthesis services for Isothiocyanic acid, 6-fluorohexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.