2H-1,4-Thiazin-3(4H)-one, 2,2-diethyl-
TL;DR: 2H-1,4-Thiazin-3(4H)-one, 2,2-diethyl- (CAS 63917-24-8) is a chemical compound with molecular formula C8H13NOS and molecular weight 171.0718 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2-diethyl-4H-1,4-thiazin-3-one
Also Known As: 2,2-Diethyl-3-thiamorpholone, 2H-1,2,2-diethyl, 2,2-Diethyl-2H-1,4-thiazin-3(4H)-one, 2,2-diethyl-4H-1,4-thiazin-3-one, 2H-1, 2,2-diethyl-
Technical Specifications
| Molecular Formula | C8H13NOS |
| Molecular Weight | 171.0718 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 171.0718 Da |
| Heavy Atoms | 11 |
| Complexity | 185.0 |
| SMILES | CCC1(C(=O)NC=CS1)CC |
| InChIKey | QLTOWVSLACYBHJ-UHFFFAOYSA-N |
Chemical Property Profile of 2H-1,4-Thiazin-3(4H)-one, 2,2-diethyl-
Property Insights of 2H-1,4-Thiazin-3(4H)-one, 2,2-diethyl-
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,4-Thiazin-3(4H)-one, 2,2-diethyl-. With a topological polar surface area (TPSA) of 54.4 Ų, 2H-1,4-Thiazin-3(4H)-one, 2,2-diethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1,4-Thiazin-3(4H)-one, 2,2-diethyl- 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
What is the CAS number of 2H-1,4-Thiazin-3(4H)-one, 2,2-diethyl-?
The CAS number of 2H-1,4-Thiazin-3(4H)-one, 2,2-diethyl- is 63917-24-8.
What is the molecular formula of 2H-1,4-Thiazin-3(4H)-one, 2,2-diethyl-?
The molecular formula of 2H-1,4-Thiazin-3(4H)-one, 2,2-diethyl- is C8H13NOS.
What is the molecular weight of 2H-1,4-Thiazin-3(4H)-one, 2,2-diethyl-?
The molecular weight of 2H-1,4-Thiazin-3(4H)-one, 2,2-diethyl- is 171.0718 g/mol.
Where can I buy 2H-1,4-Thiazin-3(4H)-one, 2,2-diethyl-?
You can request a quote for 2H-1,4-Thiazin-3(4H)-one, 2,2-diethyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2H-1,4-Thiazin-3(4H)-one, 2,2-diethyl-?
Yes, CoreyChem provides custom synthesis services for 2H-1,4-Thiazin-3(4H)-one, 2,2-diethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.