1,3-Diazocane-2-thione
TL;DR: 1,3-Diazocane-2-thione (CAS 5269-85-2) is a chemical compound with molecular formula C6H12N2S and molecular weight 144.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-diazocane-2-thione
Also Known As: 1,3-Diazocane-2-thione, 1,3-Diazacyclooctane-2-thione, 1,3-Diazocane-2-thione #, hexahydro-1,3-diazocine-2(1H)-thione, hexahydro-1,3-diazocin-2(1H)-thione
| Molecular Formula | C6H12N2S |
|---|---|
| Molecular Weight | 144.07 g/mol |
| LogP | 0.6344 |
| Topological Polar Surface Area | 24.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 144.07211 |
| Heavy Atoms | 9 |
| Complexity | 93.23098 |
Chemical Identifiers
| CAS Number | 5269-85-2 |
|---|---|
| SMILES | C1CCNC(=S)NCC1 |
Product Overview
1,3-Diazocane-2-thione (CAS 5269-85-2), with molecular formula C6H12N2S and molecular weight 144.07 g/mol. IUPAC: 1,3-diazocane-2-thione.
Chemical Property Profile of 1,3-Diazocane-2-thione
Property Insights of 1,3-Diazocane-2-thione
The XLogP value of 0.6344 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Diazocane-2-thione. With a topological polar surface area (TPSA) of 24.06 Ų, 1,3-Diazocane-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Diazocane-2-thione has 2 hydrogen bond donor(s) and 1 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 1,3-Diazocane-2-thione?
The CAS number of 1,3-Diazocane-2-thione is 5269-85-2.
What is the molecular formula of 1,3-Diazocane-2-thione?
The molecular formula of 1,3-Diazocane-2-thione is C6H12N2S.
What is the molecular weight of 1,3-Diazocane-2-thione?
The molecular weight of 1,3-Diazocane-2-thione is 144.07 g/mol.
Where can I buy 1,3-Diazocane-2-thione?
You can request a quote for 1,3-Diazocane-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Diazocane-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diazocane-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.