3-(Methylthio)propyl acetate
TL;DR: 3-(Methylthio)propyl acetate (CAS 16630-55-0) is a chemical compound with molecular formula C6H12O2S and molecular weight 148.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylsulfanylpropyl acetate
Also Known As: 3-(Methylthio)propyl acetate, methionyl acetate, 3-Methylthiopropyl acetate, methionol acetate, 3-methylsulfanylpropyl acetate
| Molecular Formula | C6H12O2S |
|---|---|
| Molecular Weight | 148.06 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 148.0558 |
| Heavy Atoms | 9 |
| Complexity | 83.0 |
| Boiling Point | 201.00 to 202.00 °C. @ 760.00 mm Hg |
| Density | 1.036-1.044 |
| Solubility | very slightly |
| Refractive Index | 1.461-1.467 |
Chemical Identifiers
| CAS Number | 16630-55-0 |
|---|---|
| SMILES | CC(=O)OCCCSC |
| InChIKey | LPZQTNIAYMRVMF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Methylthio)propyl acetate (CAS 16630-55-0), with molecular formula C6H12O2S and molecular weight 148.06 g/mol. IUPAC: 3-methylsulfanylpropyl acetate.
Chemical Property Profile of 3-(Methylthio)propyl acetate
Property Insights of 3-(Methylthio)propyl acetate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Methylthio)propyl acetate. With a topological polar surface area (TPSA) of 51.6 Ų, 3-(Methylthio)propyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Methylthio)propyl acetate has 0 hydrogen bond donor(s) and 3 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-(Methylthio)propyl acetate?
The CAS number of 3-(Methylthio)propyl acetate is 16630-55-0.
What is the molecular formula of 3-(Methylthio)propyl acetate?
The molecular formula of 3-(Methylthio)propyl acetate is C6H12O2S.
What is the molecular weight of 3-(Methylthio)propyl acetate?
The molecular weight of 3-(Methylthio)propyl acetate is 148.06 g/mol.
Where can I buy 3-(Methylthio)propyl acetate?
You can request a quote for 3-(Methylthio)propyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Methylthio)propyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-(Methylthio)propyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.