Propargite
TL;DR: Propargite (CAS 2312-35-8) is a chemical compound with molecular formula C19H26O4S and molecular weight 350.15518 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(4-tert-butylphenoxy)cyclohexyl] prop-2-ynyl sulfite
Also Known As: propargite, Comite, OMITE, Cyclosulfyne, Omait
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C19H26O4S |
| Molecular Weight | 350.15518 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 64.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 350.15518 Da |
| Heavy Atoms | 24 |
| Complexity | 454.0 |
| Boiling Point | Decomposes. (USCG, 1999) |
| Density | 1.085 to 1.115 at 68 °F (USCG, 1999) |
| Flash Point | 82 °F (USCG, 1999) |
| Vapor Pressure | 0.00000004 [mmHg] |
| Solubility | Fully miscible with hexane, toluene, dichloromethane, methanol and acetone |
| SMILES | CC(C)(C)C1=CC=C(C=C1)OC2CCCCC2OS(=O)OCC#C |
| InChIKey | ZYHMJXZULPZUED-UHFFFAOYSA-N |
Product Description
Applications: Propargite is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as agrochemical development, including crop protection agent synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Propargite (CAS 2312-35-8) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Propargite is a heterocyclic building block identified by CAS number 2312-35-8 and the molecular formula C19H26O4S and a molecular weight of 350.16 g/mol. Physically, the compound has a density of 1.085 to 1.115 at 68 °F (USCG, 1999) g/cm³, a solubility: Fully miscible with hexane, toluene, dichloromethane, methanol and acetone. It is also known as propargite and Comite.
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 Propargite
Property Insights of Propargite
The XLogP value of 5.0 indicates that Propargite is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Propargite. Following Lipinski's Rule of Five, Propargite has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Propargite?
The CAS number of Propargite is 2312-35-8.
What is the molecular formula of Propargite?
The molecular formula of Propargite is C19H26O4S.
What is the molecular weight of Propargite?
The molecular weight of Propargite is 350.15518 g/mol.
What are the applications of Propargite?
Propargite is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as agrochemical development, including crop protection agent synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Propargite (CAS 2312-35-8)...
Where can I buy Propargite?
You can request a quote for Propargite directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Propargite?
Yes, CoreyChem provides custom synthesis services for Propargite and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.