Methyl 2-(3-oxothiomorpholin-2-yl)acetate
TL;DR: Methyl 2-(3-oxothiomorpholin-2-yl)acetate (CAS 73477-13-1) is a chemical compound with molecular formula C7H11NO3S and molecular weight 189.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(3-oxothiomorpholin-2-yl)acetate
Also Known As: methyl 2-(3-oxothiomorpholin-2-yl)acetate, IFLab1_004195, methyl (3-oxo-2-thiomorpholinyl)acetate, methyl (3-oxothiomorpholin-2-yl)acetate, methyl2-(3-oxothiomorpholin-2-yl)acetate
| Molecular Formula | C7H11NO3S |
|---|---|
| Molecular Weight | 189.05 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 189.04596 |
| Heavy Atoms | 12 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 73477-13-1 |
|---|---|
| SMILES | COC(=O)CC1C(=O)NCCS1 |
| InChIKey | FTXCLGWIFXDHKC-UHFFFAOYSA-N |
Product Overview
Methyl 2-(3-oxothiomorpholin-2-yl)acetate (CAS 73477-13-1), with molecular formula C7H11NO3S and molecular weight 189.05 g/mol. IUPAC: methyl 2-(3-oxothiomorpholin-2-yl)acetate.
Chemical Property Profile of Methyl 2-(3-oxothiomorpholin-2-yl)acetate
Property Insights of Methyl 2-(3-oxothiomorpholin-2-yl)acetate
The XLogP value of -0.1 indicates that Methyl 2-(3-oxothiomorpholin-2-yl)acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(3-oxothiomorpholin-2-yl)acetate. Following Lipinski's Rule of Five, Methyl 2-(3-oxothiomorpholin-2-yl)acetate has 1 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-(3-oxothiomorpholin-2-yl)acetate?
The CAS number of Methyl 2-(3-oxothiomorpholin-2-yl)acetate is 73477-13-1.
What is the molecular formula of Methyl 2-(3-oxothiomorpholin-2-yl)acetate?
The molecular formula of Methyl 2-(3-oxothiomorpholin-2-yl)acetate is C7H11NO3S.
What is the molecular weight of Methyl 2-(3-oxothiomorpholin-2-yl)acetate?
The molecular weight of Methyl 2-(3-oxothiomorpholin-2-yl)acetate is 189.05 g/mol.
Where can I buy Methyl 2-(3-oxothiomorpholin-2-yl)acetate?
You can request a quote for Methyl 2-(3-oxothiomorpholin-2-yl)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-(3-oxothiomorpholin-2-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(3-oxothiomorpholin-2-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.