2-(2-Propynylthio)-2-methylpropanal
TL;DR: 2-(2-Propynylthio)-2-methylpropanal (CAS 135937-90-5) is a chemical compound with molecular formula C7H10OS and molecular weight 142.04524 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-2-prop-2-ynylsulfanylpropanal
Also Known As: 2-(propargylthio)-2-methylpropanal, 2-(2-propynylthio)-2-methylpropanal, 2-methyl-2-prop-2-ynylsulfanyl-propanal
Technical Specifications
| Molecular Formula | C7H10OS |
| Molecular Weight | 142.04524 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 142.04524 Da |
| Heavy Atoms | 9 |
| Complexity | 140.0 |
| SMILES | CC(C)(C=O)SCC#C |
| InChIKey | LGUFSWSQGPAOSI-UHFFFAOYSA-N |
Chemical Property Profile of 2-(2-Propynylthio)-2-methylpropanal
Property Insights of 2-(2-Propynylthio)-2-methylpropanal
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Propynylthio)-2-methylpropanal. With a topological polar surface area (TPSA) of 42.4 Ų, 2-(2-Propynylthio)-2-methylpropanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Propynylthio)-2-methylpropanal has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(2-Propynylthio)-2-methylpropanal?
The CAS number of 2-(2-Propynylthio)-2-methylpropanal is 135937-90-5.
What is the molecular formula of 2-(2-Propynylthio)-2-methylpropanal?
The molecular formula of 2-(2-Propynylthio)-2-methylpropanal is C7H10OS.
What is the molecular weight of 2-(2-Propynylthio)-2-methylpropanal?
The molecular weight of 2-(2-Propynylthio)-2-methylpropanal is 142.04524 g/mol.
Where can I buy 2-(2-Propynylthio)-2-methylpropanal?
You can request a quote for 2-(2-Propynylthio)-2-methylpropanal directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(2-Propynylthio)-2-methylpropanal?
Yes, CoreyChem provides custom synthesis services for 2-(2-Propynylthio)-2-methylpropanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.