Sulfallate
TL;DR: Sulfallate (CAS 95-06-7) is a chemical compound with molecular formula C8H14ClNS2 and molecular weight 223.02562 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloroprop-2-enyl N,N-diethylcarbamodithioate
Also Known As: Vegadex, Thioallate, Vegadex super, CDEC, Vegedex
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H14ClNS2 |
| Molecular Weight | 223.02562 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 60.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 223.02562 Da |
| Heavy Atoms | 12 |
| Complexity | 166.0 |
| Boiling Point | 262 to 266 °F at 1 mmHg (NTP, 1992) |
| Density | 1.088 (NTP, 1992) - Denser than water; will sink |
| Flash Point | greater than 200 °F (NTP, 1992) |
| Vapor Pressure | 0.0022 mmHg at 68 °F (NTP, 1992) |
| Refractive Index | Index of refraction: 1.5822 at 25 °C/D |
| Solubility | less than 1 mg/mL at 72 °F (NTP, 1992) |
| SMILES | CCN(CC)C(=S)SCC(=C)Cl |
| InChIKey | XJCLWVXTCRQIDI-UHFFFAOYSA-N |
Product Description
Applications: Sulfallate is used in agrochemical development, including crop protection agent synthesis, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. 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).
A agrochemical intermediate supplied by CoreyChem, Sulfallate (CAS 95-06-7) has the molecular formula C8H14ClNS2 and a molecular weight of 223.03 g/mol. Reported properties include a density of 1.088 (NTP, 1992) - Denser than water; will sink g/cm³, a solubility: less than 1 mg/mL at 72 °F (NTP, 1992). Synonyms include Vegadex and Thioallate.
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 Sulfallate
Property Insights of Sulfallate
The XLogP value of 3.1 indicates that Sulfallate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Sulfallate. Following Lipinski's Rule of Five, Sulfallate has 0 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 Sulfallate?
The CAS number of Sulfallate is 95-06-7.
What is the molecular formula of Sulfallate?
The molecular formula of Sulfallate is C8H14ClNS2.
What is the molecular weight of Sulfallate?
The molecular weight of Sulfallate is 223.02562 g/mol.
What are the applications of Sulfallate?
Sulfallate is used in agrochemical development, including crop protection agent synthesis, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item...
Where can I buy Sulfallate?
You can request a quote for Sulfallate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Sulfallate?
Yes, CoreyChem provides custom synthesis services for Sulfallate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.