Methyl allylthioacetate
TL;DR: Methyl allylthioacetate (CAS 72867-23-3) is a chemical compound with molecular formula C6H10O2S and molecular weight 146.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-prop-2-enylsulfanylacetate
Also Known As: Methyl allylthioacetate, Methyl (2-Propenylthio)acetate, methyl (allylthio)acetate, methyl 2-prop-2-enylsulfanylacetate, PHENELZINESULFATESALT
| Molecular Formula | C6H10O2S |
|---|---|
| Molecular Weight | 146.04 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 146.04015 |
| Heavy Atoms | 9 |
| Complexity | 101.0 |
Chemical Identifiers
| CAS Number | 72867-23-3 |
|---|---|
| SMILES | COC(=O)CSCC=C |
| InChIKey | XUIRWMWZYBMPQC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl allylthioacetate (CAS 72867-23-3), with molecular formula C6H10O2S and molecular weight 146.04 g/mol. IUPAC: methyl 2-prop-2-enylsulfanylacetate.
Chemical Property Profile of Methyl allylthioacetate
Property Insights of Methyl allylthioacetate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl allylthioacetate. With a topological polar surface area (TPSA) of 51.6 Ų, Methyl allylthioacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl allylthioacetate 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 Methyl allylthioacetate?
The CAS number of Methyl allylthioacetate is 72867-23-3.
What is the molecular formula of Methyl allylthioacetate?
The molecular formula of Methyl allylthioacetate is C6H10O2S.
What is the molecular weight of Methyl allylthioacetate?
The molecular weight of Methyl allylthioacetate is 146.04 g/mol.
Where can I buy Methyl allylthioacetate?
You can request a quote for Methyl allylthioacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl allylthioacetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl allylthioacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.