2,3-Epithiopropyl methacrylate
TL;DR: 2,3-Epithiopropyl methacrylate (CAS 3139-91-1) is a chemical compound with molecular formula C7H10O2S and molecular weight 158.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
thiiran-2-ylmethyl 2-methylprop-2-enoate
Also Known As: thiiran-2-ylmethyl methacrylate, 2,3-epithiopropyl methacrylate, 2-Propenoic acid, 2-methyl-, thiiranylmethyl ester, thiiran-2-ylmethyl 2-methylprop-2-enoate, 2-thiiranylmethyl 2-methylacrylate
| Molecular Formula | C7H10O2S |
|---|---|
| Molecular Weight | 158.04 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 158.04015 |
| Heavy Atoms | 10 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 3139-91-1 |
|---|---|
| SMILES | CC(=C)C(=O)OCC1CS1 |
| InChIKey | OXUABORVCCLQJI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-Epithiopropyl methacrylate (CAS 3139-91-1), with molecular formula C7H10O2S and molecular weight 158.04 g/mol. IUPAC: thiiran-2-ylmethyl 2-methylprop-2-enoate.
Chemical Property Profile of 2,3-Epithiopropyl methacrylate
Property Insights of 2,3-Epithiopropyl methacrylate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Epithiopropyl methacrylate. With a topological polar surface area (TPSA) of 51.6 Ų, 2,3-Epithiopropyl methacrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Epithiopropyl methacrylate 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 2,3-Epithiopropyl methacrylate?
The CAS number of 2,3-Epithiopropyl methacrylate is 3139-91-1.
What is the molecular formula of 2,3-Epithiopropyl methacrylate?
The molecular formula of 2,3-Epithiopropyl methacrylate is C7H10O2S.
What is the molecular weight of 2,3-Epithiopropyl methacrylate?
The molecular weight of 2,3-Epithiopropyl methacrylate is 158.04 g/mol.
Where can I buy 2,3-Epithiopropyl methacrylate?
You can request a quote for 2,3-Epithiopropyl methacrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Epithiopropyl methacrylate?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Epithiopropyl methacrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.