2-(Ethylthio)-1-butene
TL;DR: 2-(Ethylthio)-1-butene (CAS 114232-60-9) is a chemical compound with molecular formula C6H12S and molecular weight 116.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylsulfanylbut-1-ene
Also Known As: 2-ethylsulfanylbut-1-ene, 2-(Ethylthio)-1-butene, 2-Ethylthio-1-propene, 1-Butene,2-(ethylthio)-, 2-(ETHYLSULFANYL)BUT-1-ENE
| Molecular Formula | C6H12S |
|---|---|
| Molecular Weight | 116.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 116.06597 |
| Heavy Atoms | 7 |
| Complexity | 57.0 |
Chemical Identifiers
| CAS Number | 114232-60-9 |
|---|---|
| SMILES | CCC(=C)SCC |
| InChIKey | DBKUZXXHXQUYAL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Ethylthio)-1-butene (CAS 114232-60-9), with molecular formula C6H12S and molecular weight 116.07 g/mol. IUPAC: 2-ethylsulfanylbut-1-ene.
Chemical Property Profile of 2-(Ethylthio)-1-butene
Property Insights of 2-(Ethylthio)-1-butene
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Ethylthio)-1-butene. With a topological polar surface area (TPSA) of 25.3 Ų, 2-(Ethylthio)-1-butene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Ethylthio)-1-butene 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)-1-butene?
The CAS number of 2-(Ethylthio)-1-butene is 114232-60-9.
What is the molecular formula of 2-(Ethylthio)-1-butene?
The molecular formula of 2-(Ethylthio)-1-butene is C6H12S.
What is the molecular weight of 2-(Ethylthio)-1-butene?
The molecular weight of 2-(Ethylthio)-1-butene is 116.07 g/mol.
Where can I buy 2-(Ethylthio)-1-butene?
You can request a quote for 2-(Ethylthio)-1-butene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Ethylthio)-1-butene?
Yes, KEHONG BIO provides custom synthesis services for 2-(Ethylthio)-1-butene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.