5-Methyl-5-propyl-4-sulfanyl-5,6-dihydro-2H-1,3-oxazine-2-thione
TL;DR: 5-Methyl-5-propyl-4-sulfanyl-5,6-dihydro-2H-1,3-oxazine-2-thione (CAS 98426-02-9) 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-methyl-5-propyl-1,3-oxazinane-2,4-dithione
Also Known As: 5-methyl-5-propyl-1,3-oxazinane-2,4-dithione, 4-27-00-03263 (Beilstein Handbook Reference), Dihydro-5-methyl-5-propyl-2H-1,3-oxazine-2,4(3H)-dithione, 2H-1,3-Oxazine-2,4(3H)-dithione, dihydro-5-methyl-5-propyl-, Diidro-5-metil-5-propil-2H-1,3-ossazin-2,4(3H)-ditione
| 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 | 217.1034 |
Chemical Identifiers
| CAS Number | 98426-02-9 |
|---|---|
| SMILES | CCCC1(COC(=S)NC1=S)C |
Product Overview
5-Methyl-5-propyl-4-sulfanyl-5,6-dihydro-2H-1,3-oxazine-2-thione (CAS 98426-02-9), with molecular formula C8H13NOS2 and molecular weight 203.04 g/mol. IUPAC: 5-methyl-5-propyl-1,3-oxazinane-2,4-dithione.
Chemical Property Profile of 5-Methyl-5-propyl-4-sulfanyl-5,6-dihydro-2H-1,3-oxazine-2-thione
Property Insights of 5-Methyl-5-propyl-4-sulfanyl-5,6-dihydro-2H-1,3-oxazine-2-thione
The XLogP value of 2.0249 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-5-propyl-4-sulfanyl-5,6-dihydro-2H-1,3-oxazine-2-thione. With a topological polar surface area (TPSA) of 21.26 Ų, 5-Methyl-5-propyl-4-sulfanyl-5,6-dihydro-2H-1,3-oxazine-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-5-propyl-4-sulfanyl-5,6-dihydro-2H-1,3-oxazine-2-thione 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 5-Methyl-5-propyl-4-sulfanyl-5,6-dihydro-2H-1,3-oxazine-2-thione?
The CAS number of 5-Methyl-5-propyl-4-sulfanyl-5,6-dihydro-2H-1,3-oxazine-2-thione is 98426-02-9.
What is the molecular formula of 5-Methyl-5-propyl-4-sulfanyl-5,6-dihydro-2H-1,3-oxazine-2-thione?
The molecular formula of 5-Methyl-5-propyl-4-sulfanyl-5,6-dihydro-2H-1,3-oxazine-2-thione is C8H13NOS2.
What is the molecular weight of 5-Methyl-5-propyl-4-sulfanyl-5,6-dihydro-2H-1,3-oxazine-2-thione?
The molecular weight of 5-Methyl-5-propyl-4-sulfanyl-5,6-dihydro-2H-1,3-oxazine-2-thione is 203.04 g/mol.
Where can I buy 5-Methyl-5-propyl-4-sulfanyl-5,6-dihydro-2H-1,3-oxazine-2-thione?
You can request a quote for 5-Methyl-5-propyl-4-sulfanyl-5,6-dihydro-2H-1,3-oxazine-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-5-propyl-4-sulfanyl-5,6-dihydro-2H-1,3-oxazine-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-5-propyl-4-sulfanyl-5,6-dihydro-2H-1,3-oxazine-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.