methyl (2Z)-(2-oxothiomorpholin-3-ylidene)ethanoate
TL;DR: methyl (2Z)-(2-oxothiomorpholin-3-ylidene)ethanoate (CAS 1164465-63-7) is a chemical compound with molecular formula C7H9NO3S and molecular weight 187.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2Z)-2-(2-oxothiomorpholin-3-ylidene)acetate
Also Known As: methyl (2Z)-(2-oxothiomorpholin-3-ylidene)ethanoate, (Z)-methyl 2-(2-oxothiomorpholin-3-ylidene)acetate, methyl (2Z)-(2-oxothiomorpholin-3-ylidene)acetate, methyl (2Z)-2-(2-oxothiomorpholin-3-ylidene)acetate, methyl 2-(2-oxo-1,4-thiazaperhydroin-3-ylidene)acetate
| Molecular Formula | C7H9NO3S |
|---|---|
| Molecular Weight | 187.03 g/mol |
| LogP | -0.0937 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 187.03032 |
| Heavy Atoms | 12 |
| Complexity | 236.80598 |
Chemical Identifiers
| CAS Number | 1164465-63-7 |
|---|---|
| SMILES | COC(=O)/C=C\1/C(=O)SCCN1 |
Product Overview
methyl (2Z)-(2-oxothiomorpholin-3-ylidene)ethanoate (CAS 1164465-63-7), with molecular formula C7H9NO3S and molecular weight 187.03 g/mol. IUPAC: methyl (2Z)-2-(2-oxothiomorpholin-3-ylidene)acetate.
Chemical Property Profile of methyl (2Z)-(2-oxothiomorpholin-3-ylidene)ethanoate
Property Insights of methyl (2Z)-(2-oxothiomorpholin-3-ylidene)ethanoate
The XLogP value of -0.0937 indicates that methyl (2Z)-(2-oxothiomorpholin-3-ylidene)ethanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 55.4 Ų, methyl (2Z)-(2-oxothiomorpholin-3-ylidene)ethanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl (2Z)-(2-oxothiomorpholin-3-ylidene)ethanoate has 1 hydrogen bond donor(s) and 5 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 (2Z)-(2-oxothiomorpholin-3-ylidene)ethanoate?
The CAS number of methyl (2Z)-(2-oxothiomorpholin-3-ylidene)ethanoate is 1164465-63-7.
What is the molecular formula of methyl (2Z)-(2-oxothiomorpholin-3-ylidene)ethanoate?
The molecular formula of methyl (2Z)-(2-oxothiomorpholin-3-ylidene)ethanoate is C7H9NO3S.
What is the molecular weight of methyl (2Z)-(2-oxothiomorpholin-3-ylidene)ethanoate?
The molecular weight of methyl (2Z)-(2-oxothiomorpholin-3-ylidene)ethanoate is 187.03 g/mol.
Where can I buy methyl (2Z)-(2-oxothiomorpholin-3-ylidene)ethanoate?
You can request a quote for methyl (2Z)-(2-oxothiomorpholin-3-ylidene)ethanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (2Z)-(2-oxothiomorpholin-3-ylidene)ethanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl (2Z)-(2-oxothiomorpholin-3-ylidene)ethanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.