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methyl 2-[(2-oxopropyl)sulfanyl]acetate
TL;DR: methyl 2-[(2-oxopropyl)sulfanyl]acetate (CAS 61363-62-0) is a chemical compound with molecular formula C6H10O3S and molecular weight 162.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2-oxopropylsulfanyl)acetate
Also Known As: methyl 2-[(2-oxopropyl)sulfanyl]acetate, methyl 2-(2-oxopropylsulfanyl)acetate, methyl 2-acetonylsulfanylacetate, methyl [(2-oxopropyl)sulfanyl]acetate, methyl 2-(2-oxopropylthio)acetate
| Molecular Formula | C6H10O3S |
|---|---|
| Molecular Weight | 162.04 g/mol |
| LogP | 0.4816 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 162.03506 |
| Heavy Atoms | 10 |
| Complexity | 132.95462 |
Chemical Identifiers
| CAS Number | 61363-62-0 |
|---|---|
| SMILES | CC(=O)CSCC(=O)OC |
Product Overview
methyl 2-[(2-oxopropyl)sulfanyl]acetate (CAS 61363-62-0), with molecular formula C6H10O3S and molecular weight 162.04 g/mol. IUPAC: methyl 2-(2-oxopropylsulfanyl)acetate.
Chemical Property Profile of methyl 2-[(2-oxopropyl)sulfanyl]acetate
Property Insights of methyl 2-[(2-oxopropyl)sulfanyl]acetate
The XLogP value of 0.4816 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-[(2-oxopropyl)sulfanyl]acetate. With a topological polar surface area (TPSA) of 43.37 Ų, methyl 2-[(2-oxopropyl)sulfanyl]acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 2-[(2-oxopropyl)sulfanyl]acetate has 0 hydrogen bond donor(s) and 4 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 methyl 2-[(2-oxopropyl)sulfanyl]acetate?
The CAS number of methyl 2-[(2-oxopropyl)sulfanyl]acetate is 61363-62-0.
What is the molecular formula of methyl 2-[(2-oxopropyl)sulfanyl]acetate?
The molecular formula of methyl 2-[(2-oxopropyl)sulfanyl]acetate is C6H10O3S.
What is the molecular weight of methyl 2-[(2-oxopropyl)sulfanyl]acetate?
The molecular weight of methyl 2-[(2-oxopropyl)sulfanyl]acetate is 162.04 g/mol.
Where can I buy methyl 2-[(2-oxopropyl)sulfanyl]acetate?
You can request a quote for methyl 2-[(2-oxopropyl)sulfanyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-[(2-oxopropyl)sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[(2-oxopropyl)sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.