3-Ethylthio-2-methyl-1-propene
TL;DR: 3-Ethylthio-2-methyl-1-propene (CAS 37851-04-0) 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.
3-ethylsulfanyl-2-methylprop-1-ene
Also Known As: 3-Ethylthio-2-methyl-1-propene, 3-ethylsulfanyl-2-methyl-propene, 3-(Ethylthio)-2-methylpropene, 3-(ethylsulfanyl)-2-methylprop-1-ene, 3-ethylsulfanyl-2-methylprop-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 | 37851-04-0 |
|---|---|
| SMILES | CCSCC(=C)C |
| InChIKey | QWEMDJMGTBTFII-UHFFFAOYSA-N |
Product Overview
3-Ethylthio-2-methyl-1-propene (CAS 37851-04-0), with molecular formula C6H12S and molecular weight 116.07 g/mol. IUPAC: 3-ethylsulfanyl-2-methylprop-1-ene.
Chemical Property Profile of 3-Ethylthio-2-methyl-1-propene
Property Insights of 3-Ethylthio-2-methyl-1-propene
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethylthio-2-methyl-1-propene. With a topological polar surface area (TPSA) of 25.3 Ų, 3-Ethylthio-2-methyl-1-propene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethylthio-2-methyl-1-propene 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 3-Ethylthio-2-methyl-1-propene?
The CAS number of 3-Ethylthio-2-methyl-1-propene is 37851-04-0.
What is the molecular formula of 3-Ethylthio-2-methyl-1-propene?
The molecular formula of 3-Ethylthio-2-methyl-1-propene is C6H12S.
What is the molecular weight of 3-Ethylthio-2-methyl-1-propene?
The molecular weight of 3-Ethylthio-2-methyl-1-propene is 116.07 g/mol.
Where can I buy 3-Ethylthio-2-methyl-1-propene?
You can request a quote for 3-Ethylthio-2-methyl-1-propene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethylthio-2-methyl-1-propene?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethylthio-2-methyl-1-propene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.