2-Furanmethanethiol
TL;DR: 2-Furanmethanethiol (CAS 98-02-2) is a chemical compound with molecular formula C5H6OS and molecular weight 114.01394 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
furan-2-ylmethanethiol
Also Known As: Furfuryl mercaptan, 2-Furylmethanethiol, 2-FURANMETHANETHIOL, Furfuryl thiol, 2-Furfurylthiol
Application Areas
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H6OS |
| Molecular Weight | 114.01394 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 14.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 114.01394 Da |
| Heavy Atoms | 7 |
| Complexity | 56.0 |
| Melting Point | 113.00 to 115.00 °C. @ 760.00 mm Hg |
| Boiling Point | 263.00 to 265.00 °C. @ 17.00 mm Hg |
| Density | 1.125-1.135 (20°) |
| Refractive Index | 1.527-1.542 |
| Solubility | 5000 mg/L @ 20 °C (exp) |
| SMILES | C1=COC(=C1)CS |
| InChIKey | ZFFTZDQKIXPDAF-UHFFFAOYSA-N |
Product Description
Applications: 2-Furanmethanethiol is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
2-Furanmethanethiol (CAS 98-02-2) is a heterocyclic building block with the molecular formula C5H6OS and a molecular weight of 114.01 g/mol. Key physical properties include a density of 1.125-1.135 (20°) g/cm³, a solubility: 5000 mg/L @ 20 °C (exp). Synonyms include Furfuryl mercaptan and 2-Furylmethanethiol.
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 2-Furanmethanethiol
Property Insights of 2-Furanmethanethiol
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Furanmethanethiol. With a topological polar surface area (TPSA) of 14.1 Ų, 2-Furanmethanethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Furanmethanethiol has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Furanmethanethiol?
The CAS number of 2-Furanmethanethiol is 98-02-2.
What is the molecular formula of 2-Furanmethanethiol?
The molecular formula of 2-Furanmethanethiol is C5H6OS.
What is the molecular weight of 2-Furanmethanethiol?
The molecular weight of 2-Furanmethanethiol is 114.01394 g/mol.
What are the applications of 2-Furanmethanethiol?
2-Furanmethanethiol is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy 2-Furanmethanethiol?
You can request a quote for 2-Furanmethanethiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Furanmethanethiol?
Yes, CoreyChem provides custom synthesis services for 2-Furanmethanethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.