1-Ethylthio-3-methyl-1,3-butadiene
TL;DR: 1-Ethylthio-3-methyl-1,3-butadiene (CAS 49563-09-9) is a chemical compound with molecular formula C7H12S and molecular weight 128.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethylsulfanyl-3-methylbuta-1,3-diene
Also Known As: 1-Ethylthio-3-methyl-1,3-butadiene
| Molecular Formula | C7H12S |
|---|---|
| Molecular Weight | 128.07 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 128.06598 |
| Heavy Atoms | 8 |
| Complexity | 92.0 |
Chemical Identifiers
| CAS Number | 49563-09-9 |
|---|---|
| SMILES | CCSC=CC(=C)C |
| InChIKey | FQARMWMWBYNDJR-UHFFFAOYSA-N |
Product Overview
1-Ethylthio-3-methyl-1,3-butadiene (CAS 49563-09-9), with molecular formula C7H12S and molecular weight 128.07 g/mol. IUPAC: 1-ethylsulfanyl-3-methylbuta-1,3-diene.
Chemical Property Profile of 1-Ethylthio-3-methyl-1,3-butadiene
Property Insights of 1-Ethylthio-3-methyl-1,3-butadiene
The XLogP value of 3.0 indicates that 1-Ethylthio-3-methyl-1,3-butadiene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 1-Ethylthio-3-methyl-1,3-butadiene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethylthio-3-methyl-1,3-butadiene 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 1-Ethylthio-3-methyl-1,3-butadiene?
The CAS number of 1-Ethylthio-3-methyl-1,3-butadiene is 49563-09-9.
What is the molecular formula of 1-Ethylthio-3-methyl-1,3-butadiene?
The molecular formula of 1-Ethylthio-3-methyl-1,3-butadiene is C7H12S.
What is the molecular weight of 1-Ethylthio-3-methyl-1,3-butadiene?
The molecular weight of 1-Ethylthio-3-methyl-1,3-butadiene is 128.07 g/mol.
Where can I buy 1-Ethylthio-3-methyl-1,3-butadiene?
You can request a quote for 1-Ethylthio-3-methyl-1,3-butadiene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethylthio-3-methyl-1,3-butadiene?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethylthio-3-methyl-1,3-butadiene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.