Butane, 1-(ethenylthio)-
TL;DR: Butane, 1-(ethenylthio)- (CAS 4789-70-2) 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.
1-ethenylsulfanylbutane
Also Known As: Butane, 1-(ethenylthio)-, Butylvinyl sulfide, 3-Thia-1-heptene, butyl vinyl sulfide, Butyl(vinyl)sulfane
| Molecular Formula | C6H12S |
|---|---|
| Molecular Weight | 116.07 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 116.06597 |
| Heavy Atoms | 7 |
| Complexity | 41.0 |
Chemical Identifiers
| CAS Number | 4789-70-2 |
|---|---|
| SMILES | CCCCSC=C |
| InChIKey | LBMGSGLAWRZARD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butane, 1-(ethenylthio)- (CAS 4789-70-2), with molecular formula C6H12S and molecular weight 116.07 g/mol. IUPAC: 1-ethenylsulfanylbutane.
Chemical Property Profile of Butane, 1-(ethenylthio)-
Property Insights of Butane, 1-(ethenylthio)-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butane, 1-(ethenylthio)-. With a topological polar surface area (TPSA) of 25.3 Ų, Butane, 1-(ethenylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butane, 1-(ethenylthio)- 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 Butane, 1-(ethenylthio)-?
The CAS number of Butane, 1-(ethenylthio)- is 4789-70-2.
What is the molecular formula of Butane, 1-(ethenylthio)-?
The molecular formula of Butane, 1-(ethenylthio)- is C6H12S.
What is the molecular weight of Butane, 1-(ethenylthio)-?
The molecular weight of Butane, 1-(ethenylthio)- is 116.07 g/mol.
Where can I buy Butane, 1-(ethenylthio)-?
You can request a quote for Butane, 1-(ethenylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butane, 1-(ethenylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Butane, 1-(ethenylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.