2,2-Dimethyl-3-thiomorpholinone
TL;DR: 2,2-Dimethyl-3-thiomorpholinone (CAS 50847-92-2) is a chemical compound with molecular formula C6H11NOS and molecular weight 145.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethylthiomorpholin-3-one
Also Known As: 2,2-dimethylthiomorpholin-3-one, 3-Thiomorpholinone, 2,2-dimethyl-, 2,2-Dimethyl-3-thiomorpholinone, 4-Iodo-2-nitroanisole, 2,2-Dimethyl-3-thiomorpholone
| Molecular Formula | C6H11NOS |
|---|---|
| Molecular Weight | 145.06 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 145.05614 |
| Heavy Atoms | 9 |
| Complexity | 133.0 |
Chemical Identifiers
| CAS Number | 50847-92-2 |
|---|---|
| SMILES | CC1(C(=O)NCCS1)C |
| InChIKey | HWPDXZVUBFSYIE-UHFFFAOYSA-N |
Product Overview
2,2-Dimethyl-3-thiomorpholinone (CAS 50847-92-2), with molecular formula C6H11NOS and molecular weight 145.06 g/mol. IUPAC: 2,2-dimethylthiomorpholin-3-one.
Chemical Property Profile of 2,2-Dimethyl-3-thiomorpholinone
Property Insights of 2,2-Dimethyl-3-thiomorpholinone
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dimethyl-3-thiomorpholinone. With a topological polar surface area (TPSA) of 54.4 Ų, 2,2-Dimethyl-3-thiomorpholinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethyl-3-thiomorpholinone has 1 hydrogen bond donor(s) and 2 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 2,2-Dimethyl-3-thiomorpholinone?
The CAS number of 2,2-Dimethyl-3-thiomorpholinone is 50847-92-2.
What is the molecular formula of 2,2-Dimethyl-3-thiomorpholinone?
The molecular formula of 2,2-Dimethyl-3-thiomorpholinone is C6H11NOS.
What is the molecular weight of 2,2-Dimethyl-3-thiomorpholinone?
The molecular weight of 2,2-Dimethyl-3-thiomorpholinone is 145.06 g/mol.
Where can I buy 2,2-Dimethyl-3-thiomorpholinone?
You can request a quote for 2,2-Dimethyl-3-thiomorpholinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dimethyl-3-thiomorpholinone?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethyl-3-thiomorpholinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.