N-Butyl-1,1-dioxo-1lambda~6~-thiolan-3-aminium
TL;DR: N-Butyl-1,1-dioxo-1lambda~6~-thiolan-3-aminium (CAS 5553-21-9) is a chemical compound with molecular formula C8H18NO2S+ and molecular weight 192.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl-[(3S)-1,1-dioxothiolan-3-yl]azanium
Also Known As: butyl-[(3S)-1,1-dioxothiolan-3-yl]azanium, N-Butyl-1,1-dioxo-1lambda~6~-thiolan-3-aminium, (3S)-N-Butyl-1,1-dioxo-1lambda~6~-thiolan-3-aminium
| Molecular Formula | C8H18NO2S+ |
|---|---|
| Molecular Weight | 192.11 g/mol |
| LogP | -0.463 |
| Topological Polar Surface Area | 50.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 192.10582 |
| Heavy Atoms | 12 |
| Complexity | 223.21236 |
Chemical Identifiers
| CAS Number | 5553-21-9 |
|---|---|
| SMILES | CCCC[NH2+][C@H]1CCS(=O)(=O)C1 |
Product Overview
N-Butyl-1,1-dioxo-1lambda~6~-thiolan-3-aminium (CAS 5553-21-9), with molecular formula C8H18NO2S+ and molecular weight 192.11 g/mol. IUPAC: butyl-[(3S)-1,1-dioxothiolan-3-yl]azanium.
Chemical Property Profile of N-Butyl-1,1-dioxo-1lambda~6~-thiolan-3-aminium
Property Insights of N-Butyl-1,1-dioxo-1lambda~6~-thiolan-3-aminium
The XLogP value of -0.463 indicates that N-Butyl-1,1-dioxo-1lambda~6~-thiolan-3-aminium is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 50.75 Ų, N-Butyl-1,1-dioxo-1lambda~6~-thiolan-3-aminium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Butyl-1,1-dioxo-1lambda~6~-thiolan-3-aminium has 1 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 N-Butyl-1,1-dioxo-1lambda~6~-thiolan-3-aminium?
The CAS number of N-Butyl-1,1-dioxo-1lambda~6~-thiolan-3-aminium is 5553-21-9.
What is the molecular formula of N-Butyl-1,1-dioxo-1lambda~6~-thiolan-3-aminium?
The molecular formula of N-Butyl-1,1-dioxo-1lambda~6~-thiolan-3-aminium is C8H18NO2S+.
What is the molecular weight of N-Butyl-1,1-dioxo-1lambda~6~-thiolan-3-aminium?
The molecular weight of N-Butyl-1,1-dioxo-1lambda~6~-thiolan-3-aminium is 192.11 g/mol.
Where can I buy N-Butyl-1,1-dioxo-1lambda~6~-thiolan-3-aminium?
You can request a quote for N-Butyl-1,1-dioxo-1lambda~6~-thiolan-3-aminium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Butyl-1,1-dioxo-1lambda~6~-thiolan-3-aminium?
Yes, KEHONG BIO provides custom synthesis services for N-Butyl-1,1-dioxo-1lambda~6~-thiolan-3-aminium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.