2-Pentanone, 1-hydroxy-1-((2-hydroxyethyl)thio)-3-methyl-
TL;DR: 2-Pentanone, 1-hydroxy-1-((2-hydroxyethyl)thio)-3-methyl- (CAS 107447-20-1) is a chemical compound with molecular formula C8H16O3S and molecular weight 192.08202 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-hydroxy-1-(2-hydroxyethylsulfanyl)-3-methylpentan-2-one
Also Known As: 2-Pentanone, 1-hydroxy-1-((2-hydroxyethyl)thio)-3-methyl-, 1-hydroxy-1-(2-hydroxyethylsulfanyl)-3-methylpentan-2-one, 1-hydroxy-1-(2-hydroxyethylsulfanyl)-3-methyl-pentan-2-one, 1-HYDROXY-1-[(2-HYDROXYETHYL)SULFANYL]-3-METHYLPENTAN-2-ONE
Technical Specifications
| Molecular Formula | C8H16O3S |
| Molecular Weight | 192.08202 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 82.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 192.08202 Da |
| Heavy Atoms | 12 |
| Complexity | 138.0 |
| SMILES | CCC(C)C(=O)C(O)SCCO |
| InChIKey | DIMWTULRPVKHIT-UHFFFAOYSA-N |
Chemical Property Profile of 2-Pentanone, 1-hydroxy-1-((2-hydroxyethyl)thio)-3-methyl-
Property Insights of 2-Pentanone, 1-hydroxy-1-((2-hydroxyethyl)thio)-3-methyl-
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Pentanone, 1-hydroxy-1-((2-hydroxyethyl)thio)-3-methyl-. The TPSA of 82.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Pentanone, 1-hydroxy-1-((2-hydroxyethyl)thio)-3-methyl-. Following Lipinski's Rule of Five, 2-Pentanone, 1-hydroxy-1-((2-hydroxyethyl)thio)-3-methyl- has 2 hydrogen bond donor(s) and 4 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-Pentanone, 1-hydroxy-1-((2-hydroxyethyl)thio)-3-methyl-?
The CAS number of 2-Pentanone, 1-hydroxy-1-((2-hydroxyethyl)thio)-3-methyl- is 107447-20-1.
What is the molecular formula of 2-Pentanone, 1-hydroxy-1-((2-hydroxyethyl)thio)-3-methyl-?
The molecular formula of 2-Pentanone, 1-hydroxy-1-((2-hydroxyethyl)thio)-3-methyl- is C8H16O3S.
What is the molecular weight of 2-Pentanone, 1-hydroxy-1-((2-hydroxyethyl)thio)-3-methyl-?
The molecular weight of 2-Pentanone, 1-hydroxy-1-((2-hydroxyethyl)thio)-3-methyl- is 192.08202 g/mol.
Where can I buy 2-Pentanone, 1-hydroxy-1-((2-hydroxyethyl)thio)-3-methyl-?
You can request a quote for 2-Pentanone, 1-hydroxy-1-((2-hydroxyethyl)thio)-3-methyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Pentanone, 1-hydroxy-1-((2-hydroxyethyl)thio)-3-methyl-?
Yes, CoreyChem provides custom synthesis services for 2-Pentanone, 1-hydroxy-1-((2-hydroxyethyl)thio)-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.