2,2-Diethyl-3,5-thiomorpholinedione
TL;DR: 2,2-Diethyl-3,5-thiomorpholinedione (CAS 90088-64-5) is a chemical compound with molecular formula C8H13NO2S and molecular weight 187.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-diethylthiomorpholine-3,5-dione
Also Known As: 2,2-Diethyl-3,5-thiomorpholinedione, 2,2-diethylthiomorpholine-3,5-dione, NCIOpen2_001054, 2-[Bis(carboxymethyl)amino]butanoic acid, 3,5-THIOMORPHOLINEDIONE, 2,2-DIETHYL-
| Molecular Formula | C8H13NO2S |
|---|---|
| Molecular Weight | 187.07 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 71.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 187.0667 |
| Heavy Atoms | 12 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 90088-64-5 |
|---|---|
| SMILES | CCC1(C(=O)NC(=O)CS1)CC |
| InChIKey | YPYUHXDMZLQHRP-UHFFFAOYSA-N |
Product Overview
2,2-Diethyl-3,5-thiomorpholinedione (CAS 90088-64-5), with molecular formula C8H13NO2S and molecular weight 187.07 g/mol. IUPAC: 2,2-diethylthiomorpholine-3,5-dione.
Chemical Property Profile of 2,2-Diethyl-3,5-thiomorpholinedione
Property Insights of 2,2-Diethyl-3,5-thiomorpholinedione
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Diethyl-3,5-thiomorpholinedione. The TPSA of 71.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-Diethyl-3,5-thiomorpholinedione. Following Lipinski's Rule of Five, 2,2-Diethyl-3,5-thiomorpholinedione 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 2,2-Diethyl-3,5-thiomorpholinedione?
The CAS number of 2,2-Diethyl-3,5-thiomorpholinedione is 90088-64-5.
What is the molecular formula of 2,2-Diethyl-3,5-thiomorpholinedione?
The molecular formula of 2,2-Diethyl-3,5-thiomorpholinedione is C8H13NO2S.
What is the molecular weight of 2,2-Diethyl-3,5-thiomorpholinedione?
The molecular weight of 2,2-Diethyl-3,5-thiomorpholinedione is 187.07 g/mol.
Where can I buy 2,2-Diethyl-3,5-thiomorpholinedione?
You can request a quote for 2,2-Diethyl-3,5-thiomorpholinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Diethyl-3,5-thiomorpholinedione?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Diethyl-3,5-thiomorpholinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.