2H-1,3-Oxazine-2,4(3H)-dithione, dihydro-5,5-diethyl-
TL;DR: 2H-1,3-Oxazine-2,4(3H)-dithione, dihydro-5,5-diethyl- (CAS 98426-00-7) is a chemical compound with molecular formula C8H13NOS2 and molecular weight 203.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-diethyl-1,3-oxazinane-2,4-dithione
Also Known As: 5,5-diethyl-1,3-oxazinane-2,4-dithione, L 1888, Dihydro-5,5-diethyl-2H-1,3-oxazine-2,4(3H)-dithione, 2H-1,3-Oxazine-2,4(3H)-dithione, dihydro-5,5-diethyl-, 4-27-00-03263 (Beilstein Handbook Reference)
| Molecular Formula | C8H13NOS2 |
|---|---|
| Molecular Weight | 203.04 g/mol |
| LogP | 2.0249 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 203.04385 |
| Heavy Atoms | 12 |
| Complexity | 211.1034 |
Chemical Identifiers
| CAS Number | 98426-00-7 |
|---|---|
| SMILES | CCC1(COC(=S)NC1=S)CC |
Product Overview
2H-1,3-Oxazine-2,4(3H)-dithione, dihydro-5,5-diethyl- (CAS 98426-00-7), with molecular formula C8H13NOS2 and molecular weight 203.04 g/mol. IUPAC: 5,5-diethyl-1,3-oxazinane-2,4-dithione.
Chemical Property Profile of 2H-1,3-Oxazine-2,4(3H)-dithione, dihydro-5,5-diethyl-
Property Insights of 2H-1,3-Oxazine-2,4(3H)-dithione, dihydro-5,5-diethyl-
The XLogP value of 2.0249 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,3-Oxazine-2,4(3H)-dithione, dihydro-5,5-diethyl-. With a topological polar surface area (TPSA) of 21.26 Ų, 2H-1,3-Oxazine-2,4(3H)-dithione, dihydro-5,5-diethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1,3-Oxazine-2,4(3H)-dithione, dihydro-5,5-diethyl- 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 2H-1,3-Oxazine-2,4(3H)-dithione, dihydro-5,5-diethyl-?
The CAS number of 2H-1,3-Oxazine-2,4(3H)-dithione, dihydro-5,5-diethyl- is 98426-00-7.
What is the molecular formula of 2H-1,3-Oxazine-2,4(3H)-dithione, dihydro-5,5-diethyl-?
The molecular formula of 2H-1,3-Oxazine-2,4(3H)-dithione, dihydro-5,5-diethyl- is C8H13NOS2.
What is the molecular weight of 2H-1,3-Oxazine-2,4(3H)-dithione, dihydro-5,5-diethyl-?
The molecular weight of 2H-1,3-Oxazine-2,4(3H)-dithione, dihydro-5,5-diethyl- is 203.04 g/mol.
Where can I buy 2H-1,3-Oxazine-2,4(3H)-dithione, dihydro-5,5-diethyl-?
You can request a quote for 2H-1,3-Oxazine-2,4(3H)-dithione, dihydro-5,5-diethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1,3-Oxazine-2,4(3H)-dithione, dihydro-5,5-diethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,3-Oxazine-2,4(3H)-dithione, dihydro-5,5-diethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.