Lethane
TL;DR: Lethane (CAS 112-56-1) is a chemical compound with molecular formula C9H17NO2S and molecular weight 203.098 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-butoxyethoxy)ethyl thiocyanate
Also Known As: Lethane, 2-(2-Butoxyethoxy)ethyl thiocyanate, LETHANE 384, Butyl carbitol rhodanate, Lethane 384 regular
Application Areas
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H17NO2S |
| Molecular Weight | 203.098 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 67.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 203.098 Da |
| Heavy Atoms | 13 |
| Complexity | 144.0 |
| Boiling Point | 248 to 257 °F at 0.25 mmHg (NTP, 1992) |
| Density | 1.01 at 68 °F (NTP, 1992) - Denser than water; will sink |
| Flash Point | 125 °F CC |
| Vapor Pressure | 0.000594 [mmHg] |
| Refractive Index | INDEX OF REFRACTION: 1.4657 @ 20 °C/D |
| Solubility | less than 1 mg/mL at 70 °F (NTP, 1992) |
| SMILES | CCCCOCCOCCSC#N |
| InChIKey | JVGPVVUTUMQJKL-UHFFFAOYSA-N |
Chemical Property Profile of Lethane
Property Insights of Lethane
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Lethane. The TPSA of 67.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Lethane. Following Lipinski's Rule of Five, Lethane has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Lethane?
The CAS number of Lethane is 112-56-1.
What is the molecular formula of Lethane?
The molecular formula of Lethane is C9H17NO2S.
What is the molecular weight of Lethane?
The molecular weight of Lethane is 203.098 g/mol.
Where can I buy Lethane?
You can request a quote for Lethane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Lethane?
Yes, CoreyChem provides custom synthesis services for Lethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.