1,4,6-Oxadiazocane-5-thione
TL;DR: 1,4,6-Oxadiazocane-5-thione (CAS 74804-37-8) is a chemical compound with molecular formula C5H10N2OS and molecular weight 146.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4,6-oxadiazocane-5-thione
Also Known As: 1,4,6-Oxadiazocane-5-thione, NIOSH/RO0544650, 1-Oxa-4,6-diazacyclooctane-5-thione, 1,4,6-Oxadiazocane-5-thione #, 1,3-diaza-6-oxacyclooctane-2-thione
| Molecular Formula | C5H10N2OS |
|---|---|
| Molecular Weight | 146.05 g/mol |
| LogP | -0.5193 |
| Topological Polar Surface Area | 33.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 146.05139 |
| Heavy Atoms | 9 |
| Complexity | 97.13112 |
Chemical Identifiers
| CAS Number | 74804-37-8 |
|---|---|
| SMILES | C1COCCNC(=S)N1 |
Product Overview
1,4,6-Oxadiazocane-5-thione (CAS 74804-37-8), with molecular formula C5H10N2OS and molecular weight 146.05 g/mol. IUPAC: 1,4,6-oxadiazocane-5-thione.
Chemical Property Profile of 1,4,6-Oxadiazocane-5-thione
Property Insights of 1,4,6-Oxadiazocane-5-thione
The XLogP value of -0.5193 indicates that 1,4,6-Oxadiazocane-5-thione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 33.29 Ų, 1,4,6-Oxadiazocane-5-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4,6-Oxadiazocane-5-thione has 2 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 1,4,6-Oxadiazocane-5-thione?
The CAS number of 1,4,6-Oxadiazocane-5-thione is 74804-37-8.
What is the molecular formula of 1,4,6-Oxadiazocane-5-thione?
The molecular formula of 1,4,6-Oxadiazocane-5-thione is C5H10N2OS.
What is the molecular weight of 1,4,6-Oxadiazocane-5-thione?
The molecular weight of 1,4,6-Oxadiazocane-5-thione is 146.05 g/mol.
Where can I buy 1,4,6-Oxadiazocane-5-thione?
You can request a quote for 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 1,4,6-Oxadiazocane-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 1,4,6-Oxadiazocane-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.