3-(Furan-2-ylmethyl)-5-isopropyl-1,3,5-thiadiazinane-2-thione
TL;DR: 3-(Furan-2-ylmethyl)-5-isopropyl-1,3,5-thiadiazinane-2-thione (CAS 450352-46-2) is a chemical compound with molecular formula C11H16N2OS2 and molecular weight 256.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(furan-2-ylmethyl)-5-propan-2-yl-1,3,5-thiadiazinane-2-thione
Also Known As: 3-[(furan-2-yl)methyl]-5-(propan-2-yl)-1,3,5-thiadiazinane-2-thione, 3-(furan-2-ylmethyl)-5-isopropyl-1,3,5-thiadiazinane-2-thione, F0547-0311, 3-(furan-2-ylmethyl)-5-propan-2-yl-1,3,5-thiadiazinane-2-thione, 3-(2-furylmethyl)-5-propan-2-yl-1,3,5-thiadiazinane-2-thione
| Molecular Formula | C11H16N2OS2 |
|---|---|
| Molecular Weight | 256.07 g/mol |
| LogP | 2.7387 |
| Topological Polar Surface Area | 19.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 256.0704 |
| Heavy Atoms | 16 |
| Complexity | 350.87634 |
Chemical Identifiers
| CAS Number | 450352-46-2 |
|---|---|
| SMILES | CC(C)N1CN(C(=S)SC1)CC2=CC=CO2 |
Product Overview
3-(Furan-2-ylmethyl)-5-isopropyl-1,3,5-thiadiazinane-2-thione (CAS 450352-46-2), with molecular formula C11H16N2OS2 and molecular weight 256.07 g/mol. IUPAC: 3-(furan-2-ylmethyl)-5-propan-2-yl-1,3,5-thiadiazinane-2-thione.
Chemical Property Profile of 3-(Furan-2-ylmethyl)-5-isopropyl-1,3,5-thiadiazinane-2-thione
Property Insights of 3-(Furan-2-ylmethyl)-5-isopropyl-1,3,5-thiadiazinane-2-thione
The XLogP value of 2.7387 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Furan-2-ylmethyl)-5-isopropyl-1,3,5-thiadiazinane-2-thione. With a topological polar surface area (TPSA) of 19.62 Ų, 3-(Furan-2-ylmethyl)-5-isopropyl-1,3,5-thiadiazinane-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Furan-2-ylmethyl)-5-isopropyl-1,3,5-thiadiazinane-2-thione has 0 hydrogen bond donor(s) and 4 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 3-(Furan-2-ylmethyl)-5-isopropyl-1,3,5-thiadiazinane-2-thione?
The CAS number of 3-(Furan-2-ylmethyl)-5-isopropyl-1,3,5-thiadiazinane-2-thione is 450352-46-2.
What is the molecular formula of 3-(Furan-2-ylmethyl)-5-isopropyl-1,3,5-thiadiazinane-2-thione?
The molecular formula of 3-(Furan-2-ylmethyl)-5-isopropyl-1,3,5-thiadiazinane-2-thione is C11H16N2OS2.
What is the molecular weight of 3-(Furan-2-ylmethyl)-5-isopropyl-1,3,5-thiadiazinane-2-thione?
The molecular weight of 3-(Furan-2-ylmethyl)-5-isopropyl-1,3,5-thiadiazinane-2-thione is 256.07 g/mol.
Where can I buy 3-(Furan-2-ylmethyl)-5-isopropyl-1,3,5-thiadiazinane-2-thione?
You can request a quote for 3-(Furan-2-ylmethyl)-5-isopropyl-1,3,5-thiadiazinane-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Furan-2-ylmethyl)-5-isopropyl-1,3,5-thiadiazinane-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-(Furan-2-ylmethyl)-5-isopropyl-1,3,5-thiadiazinane-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.