Furfuryl thiopropionate
TL;DR: Furfuryl thiopropionate (CAS 59020-85-8) is a chemical compound with molecular formula C8H10O2S and molecular weight 170.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(furan-2-ylmethyl) propanethioate
Also Known As: Furfuryl thiopropionate, S-Furfuryl thiopropionate, S-(furan-2-ylmethyl) propanethioate, Furfurylthiol propionate, S-Furfuryl propanethioate
| Molecular Formula | C8H10O2S |
|---|---|
| Molecular Weight | 170.04 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 55.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 170.04015 |
| Heavy Atoms | 11 |
| Complexity | 136.0 |
| Boiling Point | 95.00 to 97.00 °C. @ 10.00 mm Hg |
| Density | 1.089-1.111 (20°) |
| Solubility | Insoluble in water,soluble in organic solvents |
| Refractive Index | 1.506-1.521 |
Chemical Identifiers
| CAS Number | 59020-85-8 |
|---|---|
| SMILES | CCC(=O)SCC1=CC=CO1 |
| InChIKey | JNVPDFNCAUOOIT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Furfuryl thiopropionate (CAS 59020-85-8), with molecular formula C8H10O2S and molecular weight 170.04 g/mol. IUPAC: S-(furan-2-ylmethyl) propanethioate.
Chemical Property Profile of Furfuryl thiopropionate
Property Insights of Furfuryl thiopropionate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Furfuryl thiopropionate. With a topological polar surface area (TPSA) of 55.5 Ų, Furfuryl thiopropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Furfuryl thiopropionate 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 Furfuryl thiopropionate?
The CAS number of Furfuryl thiopropionate is 59020-85-8.
What is the molecular formula of Furfuryl thiopropionate?
The molecular formula of Furfuryl thiopropionate is C8H10O2S.
What is the molecular weight of Furfuryl thiopropionate?
The molecular weight of Furfuryl thiopropionate is 170.04 g/mol.
Where can I buy Furfuryl thiopropionate?
You can request a quote for Furfuryl thiopropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Furfuryl thiopropionate?
Yes, KEHONG BIO provides custom synthesis services for Furfuryl thiopropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.