4,6-Dimethyl-1,4,6-oxadiazocane-5-thione
TL;DR: 4,6-Dimethyl-1,4,6-oxadiazocane-5-thione (CAS 89863-06-9) is a chemical compound with molecular formula C7H14N2OS and molecular weight 174.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dimethyl-1,4,6-oxadiazocane-5-thione
Also Known As: 4,6-Dimethyl-1,4,6-oxadiazocane-5-thione, 4,6-Dimethyl-1,4,6-oxadiazocane-5-thione #, 4,6-Dimethyl-1-oxa-4,6-diazacyclooctane-5-thione, 1,3-dimethyl-1,3-diaza-6-oxa-2-cyclooctanethione, 2H-1,4,6-Oxadiazocine-5(6H)-thione, tetrahydro-4,6-dimethyl-
| Molecular Formula | C7H14N2OS |
|---|---|
| Molecular Weight | 174.08 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 47.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 174.08269 |
| Heavy Atoms | 11 |
| Complexity | 137.0 |
Chemical Identifiers
| CAS Number | 89863-06-9 |
|---|---|
| SMILES | CN1CCOCCN(C1=S)C |
| InChIKey | MEHUHGANEVSWDC-UHFFFAOYSA-N |
Product Overview
4,6-Dimethyl-1,4,6-oxadiazocane-5-thione (CAS 89863-06-9), with molecular formula C7H14N2OS and molecular weight 174.08 g/mol. IUPAC: 4,6-dimethyl-1,4,6-oxadiazocane-5-thione.
Chemical Property Profile of 4,6-Dimethyl-1,4,6-oxadiazocane-5-thione
Property Insights of 4,6-Dimethyl-1,4,6-oxadiazocane-5-thione
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6-Dimethyl-1,4,6-oxadiazocane-5-thione. With a topological polar surface area (TPSA) of 47.8 Ų, 4,6-Dimethyl-1,4,6-oxadiazocane-5-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,6-Dimethyl-1,4,6-oxadiazocane-5-thione has 0 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 4,6-Dimethyl-1,4,6-oxadiazocane-5-thione?
The CAS number of 4,6-Dimethyl-1,4,6-oxadiazocane-5-thione is 89863-06-9.
What is the molecular formula of 4,6-Dimethyl-1,4,6-oxadiazocane-5-thione?
The molecular formula of 4,6-Dimethyl-1,4,6-oxadiazocane-5-thione is C7H14N2OS.
What is the molecular weight of 4,6-Dimethyl-1,4,6-oxadiazocane-5-thione?
The molecular weight of 4,6-Dimethyl-1,4,6-oxadiazocane-5-thione is 174.08 g/mol.
Where can I buy 4,6-Dimethyl-1,4,6-oxadiazocane-5-thione?
You can request a quote for 4,6-Dimethyl-1,4,6-oxadiazocane-5-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Dimethyl-1,4,6-oxadiazocane-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Dimethyl-1,4,6-oxadiazocane-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.