Propane, 2-(ethenylthio)-2-methyl-
TL;DR: Propane, 2-(ethenylthio)-2-methyl- (CAS 14094-13-4) 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-ethenylsulfanyl-2-methylpropane
Also Known As: Propane, 2-(ethenylthio)-2-methyl-, tert-butyl vinyl sulfide, t-butyl vinyl sulfide, tert-Butylvinyl sulfide, Vinyl tert-butyl sulfide
| Molecular Formula | C6H12S |
|---|---|
| Molecular Weight | 116.07 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 116.06597 |
| Heavy Atoms | 7 |
| Complexity | 59.0 |
Chemical Identifiers
| CAS Number | 14094-13-4 |
|---|---|
| SMILES | CC(C)(C)SC=C |
| InChIKey | QBBBUPLGCPJGMC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propane, 2-(ethenylthio)-2-methyl- (CAS 14094-13-4), with molecular formula C6H12S and molecular weight 116.07 g/mol. IUPAC: 2-ethenylsulfanyl-2-methylpropane.
Chemical Property Profile of Propane, 2-(ethenylthio)-2-methyl-
Property Insights of Propane, 2-(ethenylthio)-2-methyl-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propane, 2-(ethenylthio)-2-methyl-. With a topological polar surface area (TPSA) of 25.3 Ų, Propane, 2-(ethenylthio)-2-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propane, 2-(ethenylthio)-2-methyl- 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 Propane, 2-(ethenylthio)-2-methyl-?
The CAS number of Propane, 2-(ethenylthio)-2-methyl- is 14094-13-4.
What is the molecular formula of Propane, 2-(ethenylthio)-2-methyl-?
The molecular formula of Propane, 2-(ethenylthio)-2-methyl- is C6H12S.
What is the molecular weight of Propane, 2-(ethenylthio)-2-methyl-?
The molecular weight of Propane, 2-(ethenylthio)-2-methyl- is 116.07 g/mol.
Where can I buy Propane, 2-(ethenylthio)-2-methyl-?
You can request a quote for Propane, 2-(ethenylthio)-2-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propane, 2-(ethenylthio)-2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Propane, 2-(ethenylthio)-2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.