2-(Ethylthio)butane
TL;DR: 2-(Ethylthio)butane (CAS 5008-72-0) is a chemical compound with molecular formula C6H14S and molecular weight 118.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylsulfanylbutane
Also Known As: 2-(Ethylthio)butane, 2-ethylsulfanylbutane, Butane, 2-(ethylthio)-, ETHYL SEC-BUTYL SULFIDE, Ethylsec-butylsulfide
| Molecular Formula | C6H14S |
|---|---|
| Molecular Weight | 118.08 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 118.08162 |
| Heavy Atoms | 7 |
| Complexity | 35.0 |
Chemical Identifiers
| CAS Number | 5008-72-0 |
|---|---|
| SMILES | CCC(C)SCC |
| InChIKey | JFNGZXUPUVUYST-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Ethylthio)butane (CAS 5008-72-0), with molecular formula C6H14S and molecular weight 118.08 g/mol. IUPAC: 2-ethylsulfanylbutane.
Chemical Property Profile of 2-(Ethylthio)butane
Property Insights of 2-(Ethylthio)butane
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Ethylthio)butane. With a topological polar surface area (TPSA) of 25.3 Ų, 2-(Ethylthio)butane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Ethylthio)butane has 0 hydrogen bond donor(s) and 1 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 2-(Ethylthio)butane?
The CAS number of 2-(Ethylthio)butane is 5008-72-0.
What is the molecular formula of 2-(Ethylthio)butane?
The molecular formula of 2-(Ethylthio)butane is C6H14S.
What is the molecular weight of 2-(Ethylthio)butane?
The molecular weight of 2-(Ethylthio)butane is 118.08 g/mol.
Where can I buy 2-(Ethylthio)butane?
You can request a quote for 2-(Ethylthio)butane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Ethylthio)butane?
Yes, KEHONG BIO provides custom synthesis services for 2-(Ethylthio)butane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.