Furfuryl mercaptan formate
TL;DR: Furfuryl mercaptan formate (CAS 59020-90-5) is a chemical compound with molecular formula C6H6O2S and molecular weight 142.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(furan-2-ylmethyl) methanethioate
Also Known As: Furfuryl thioformate, 2-Furanmethanethiol formate, S-Furfuryl Thioformate, Furfurylthiol formate, Furfuryl mercaptan formate
| Molecular Formula | C6H6O2S |
|---|---|
| Molecular Weight | 142.01 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 55.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 142.00885 |
| Heavy Atoms | 9 |
| Complexity | 95.0 |
| Boiling Point | 66.00 °C. @ 15.00 mm Hg |
| Density | 1.213-1.223 (20°) |
| Solubility | Insoluble in water,soluble in organic solvents, fats |
| Refractive Index | 1.539-1.549 |
Chemical Identifiers
| CAS Number | 59020-90-5 |
|---|---|
| SMILES | C1=COC(=C1)CSC=O |
| InChIKey | GFAOAYJTEVHTLA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Furfuryl mercaptan formate (CAS 59020-90-5), with molecular formula C6H6O2S and molecular weight 142.01 g/mol. IUPAC: S-(furan-2-ylmethyl) methanethioate.
Chemical Property Profile of Furfuryl mercaptan formate
Property Insights of Furfuryl mercaptan formate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Furfuryl mercaptan formate. With a topological polar surface area (TPSA) of 55.5 Ų, Furfuryl mercaptan formate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Furfuryl mercaptan formate 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 mercaptan formate?
The CAS number of Furfuryl mercaptan formate is 59020-90-5.
What is the molecular formula of Furfuryl mercaptan formate?
The molecular formula of Furfuryl mercaptan formate is C6H6O2S.
What is the molecular weight of Furfuryl mercaptan formate?
The molecular weight of Furfuryl mercaptan formate is 142.01 g/mol.
Where can I buy Furfuryl mercaptan formate?
You can request a quote for Furfuryl mercaptan formate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Furfuryl mercaptan formate?
Yes, KEHONG BIO provides custom synthesis services for Furfuryl mercaptan formate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.