2-Methyl-1,1-dioxo-thiomorpholin-3-one
TL;DR: 2-Methyl-1,1-dioxo-thiomorpholin-3-one (CAS 89580-08-5) is a chemical compound with molecular formula C5H9NO3S and molecular weight 163.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1,1-dioxo-1,4-thiazinan-3-one
Also Known As: 2-methyl-1, 2-methyl-1,1-dioxo-1,4-thiazinan-3-one, 3-Thiomorpholinone, 2-methyl-, 1,1-dioxide, 2-METHYL-1,1-DIOXO-THIOMORPHOLIN-3-ONE
| Molecular Formula | C5H9NO3S |
|---|---|
| Molecular Weight | 163.03 g/mol |
| LogP | -1.0805 |
| Topological Polar Surface Area | 63.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 163.03032 |
| Heavy Atoms | 10 |
| Complexity | 243.61868 |
Chemical Identifiers
| CAS Number | 89580-08-5 |
|---|---|
| SMILES | CC1C(=O)NCCS1(=O)=O |
Product Overview
2-Methyl-1,1-dioxo-thiomorpholin-3-one (CAS 89580-08-5), with molecular formula C5H9NO3S and molecular weight 163.03 g/mol. IUPAC: 2-methyl-1,1-dioxo-1,4-thiazinan-3-one.
Chemical Property Profile of 2-Methyl-1,1-dioxo-thiomorpholin-3-one
Property Insights of 2-Methyl-1,1-dioxo-thiomorpholin-3-one
The XLogP value of -1.0805 indicates that 2-Methyl-1,1-dioxo-thiomorpholin-3-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 63.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-1,1-dioxo-thiomorpholin-3-one. Following Lipinski's Rule of Five, 2-Methyl-1,1-dioxo-thiomorpholin-3-one has 1 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-Methyl-1,1-dioxo-thiomorpholin-3-one?
The CAS number of 2-Methyl-1,1-dioxo-thiomorpholin-3-one is 89580-08-5.
What is the molecular formula of 2-Methyl-1,1-dioxo-thiomorpholin-3-one?
The molecular formula of 2-Methyl-1,1-dioxo-thiomorpholin-3-one is C5H9NO3S.
What is the molecular weight of 2-Methyl-1,1-dioxo-thiomorpholin-3-one?
The molecular weight of 2-Methyl-1,1-dioxo-thiomorpholin-3-one is 163.03 g/mol.
Where can I buy 2-Methyl-1,1-dioxo-thiomorpholin-3-one?
You can request a quote for 2-Methyl-1,1-dioxo-thiomorpholin-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-1,1-dioxo-thiomorpholin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-1,1-dioxo-thiomorpholin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.