Ethyl 2-methyl-1-propenyl sulfide
TL;DR: Ethyl 2-methyl-1-propenyl sulfide (CAS 27482-14-0) 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-ethylsulfanyl-2-methylprop-1-ene
Also Known As: 1-(ethylthio)-2-methylpropene, Ethyl 2-methyl-1-propenyl sulfide, 1-Propene, 1-(ethylthio)-2-methyl-, 1-ethylsulfanyl-2-methylprop-1-ene, Ethyl 2-methyl-1-propenyl sulfide #
| 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 | 2 |
| Exact Mass | 116.06597 |
| Heavy Atoms | 7 |
| Complexity | 60.0 |
Chemical Identifiers
| CAS Number | 27482-14-0 |
|---|---|
| SMILES | CCSC=C(C)C |
| InChIKey | WVQJKWZZGMMVDK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-methyl-1-propenyl sulfide (CAS 27482-14-0), with molecular formula C6H12S and molecular weight 116.07 g/mol. IUPAC: 1-ethylsulfanyl-2-methylprop-1-ene.
Chemical Property Profile of Ethyl 2-methyl-1-propenyl sulfide
Property Insights of Ethyl 2-methyl-1-propenyl sulfide
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-methyl-1-propenyl sulfide. With a topological polar surface area (TPSA) of 25.3 Ų, Ethyl 2-methyl-1-propenyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-methyl-1-propenyl sulfide 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 Ethyl 2-methyl-1-propenyl sulfide?
The CAS number of Ethyl 2-methyl-1-propenyl sulfide is 27482-14-0.
What is the molecular formula of Ethyl 2-methyl-1-propenyl sulfide?
The molecular formula of Ethyl 2-methyl-1-propenyl sulfide is C6H12S.
What is the molecular weight of Ethyl 2-methyl-1-propenyl sulfide?
The molecular weight of Ethyl 2-methyl-1-propenyl sulfide is 116.07 g/mol.
Where can I buy Ethyl 2-methyl-1-propenyl sulfide?
You can request a quote for Ethyl 2-methyl-1-propenyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-methyl-1-propenyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-methyl-1-propenyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.