Sulfallate
TL;DR: Sulfallate (CAS 95-06-7) is a chemical compound with molecular formula C8H14ClNS2 and molecular weight 223.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloroprop-2-enyl N,N-diethylcarbamodithioate
Also Known As: Vegadex, Thioallate, Vegadex super, CDEC, Vegedex
| Molecular Formula | C8H14ClNS2 |
|---|---|
| Molecular Weight | 223.03 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 60.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 223.02562 |
| Heavy Atoms | 12 |
| Complexity | 166.0 |
| Boiling Point | 262 to 130.0 °C at 1 mmHg |
| Density | 1.088 |
| Solubility | less than 1 mg/mL at 72 °F (NTP, 1992) |
| Flash Point | greater than 93.3 °C |
| Vapor Pressure | 0.0022 mmHg at 20.0 °C |
| Refractive Index | 1.5822 at 25 °C |
Chemical Identifiers
| CAS Number | 95-06-7 |
|---|---|
| SMILES | CCN(CC)C(=S)SCC(=C)Cl |
| InChIKey | XJCLWVXTCRQIDI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Sulfallate (CAS 95-06-7), with molecular formula C8H14ClNS2 and molecular weight 223.03 g/mol. IUPAC: 2-chloroprop-2-enyl N,N-diethylcarbamodithioate.
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
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 223.03 g/mol.
Where can I buy Sulfallate?
You can request a quote for Sulfallate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sulfallate?
Yes, KEHONG BIO provides custom synthesis services for Sulfallate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.