2,5-Dimethyl-3-thioacetoxyfuran
TL;DR: 2,5-Dimethyl-3-thioacetoxyfuran (CAS 55764-22-2) 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-(2,5-dimethylfuran-3-yl) ethanethioate
Also Known As: S-(2,5-dimethylfuran-3-yl) ethanethioate, 2,5-Dimethyl-3-thioacetoxyfuran, 2,5-Dimethyl-3-furanthiol acetate, S-(2,5-Dimethyl-3-furyl) ethanethioate, Ethanethioic acid, S-(2,5-dimethyl-3-furanyl) ester
| Molecular Formula | C8H10O2S |
|---|---|
| Molecular Weight | 170.04 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 55.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.04015 |
| Heavy Atoms | 11 |
| Complexity | 158.0 |
| Density | 1.137-1.143 |
| Solubility | Practically insoluble in water and hexane; Soluble in ether |
| Refractive Index | 1.527-1.533 |
Chemical Identifiers
| CAS Number | 55764-22-2 |
|---|---|
| SMILES | CC1=CC(=C(O1)C)SC(=O)C |
| InChIKey | LULNJORVPBVGRB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5-Dimethyl-3-thioacetoxyfuran (CAS 55764-22-2), with molecular formula C8H10O2S and molecular weight 170.04 g/mol. IUPAC: S-(2,5-dimethylfuran-3-yl) ethanethioate.
Chemical Property Profile of 2,5-Dimethyl-3-thioacetoxyfuran
Property Insights of 2,5-Dimethyl-3-thioacetoxyfuran
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Dimethyl-3-thioacetoxyfuran. With a topological polar surface area (TPSA) of 55.5 Ų, 2,5-Dimethyl-3-thioacetoxyfuran exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Dimethyl-3-thioacetoxyfuran 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 2,5-Dimethyl-3-thioacetoxyfuran?
The CAS number of 2,5-Dimethyl-3-thioacetoxyfuran is 55764-22-2.
What is the molecular formula of 2,5-Dimethyl-3-thioacetoxyfuran?
The molecular formula of 2,5-Dimethyl-3-thioacetoxyfuran is C8H10O2S.
What is the molecular weight of 2,5-Dimethyl-3-thioacetoxyfuran?
The molecular weight of 2,5-Dimethyl-3-thioacetoxyfuran is 170.04 g/mol.
Where can I buy 2,5-Dimethyl-3-thioacetoxyfuran?
You can request a quote for 2,5-Dimethyl-3-thioacetoxyfuran directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Dimethyl-3-thioacetoxyfuran?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dimethyl-3-thioacetoxyfuran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.