Lethane
TL;DR: Lethane (CAS 112-56-1) is a chemical compound with molecular formula C9H17NO2S and molecular weight 203.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-butoxyethoxy)ethyl thiocyanate
Also Known As: Lethane, 2-(2-Butoxyethoxy)ethyl thiocyanate, LETHANE 384, Butyl carbitol rhodanate, Lethane 384 regular
| Molecular Formula | C9H17NO2S |
|---|---|
| Molecular Weight | 203.10 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 67.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 203.098 |
| Heavy Atoms | 13 |
| Complexity | 144.0 |
| Boiling Point | 248 to 125.0 °C at 0.25 mmHg |
| Density | 1.01 at 20.0 °C |
| Solubility | less than 1 mg/mL at 70 °F (NTP, 1992) |
| Flash Point | 51.7 °C CC |
| Vapor Pressure | 0.000594 [mmHg] |
| Refractive Index | 1.4657 @ 20 °C |
Chemical Identifiers
| CAS Number | 112-56-1 |
|---|---|
| SMILES | CCCCOCCOCCSC#N |
| InChIKey | JVGPVVUTUMQJKL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Lethane (CAS 112-56-1), with molecular formula C9H17NO2S and molecular weight 203.10 g/mol. IUPAC: 2-(2-butoxyethoxy)ethyl thiocyanate.
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
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 203.10 g/mol.
Where can I buy Lethane?
You can request a quote for Lethane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lethane?
Yes, KEHONG BIO provides custom synthesis services for Lethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.