(4-Hydroxy-1,1-dioxothiolan-3-yl)-(2-phenylethyl)azanium
TL;DR: (4-Hydroxy-1,1-dioxothiolan-3-yl)-(2-phenylethyl)azanium (CAS 347364-75-4) is a chemical compound with molecular formula C12H18NO3S+ and molecular weight 256.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-hydroxy-1,1-dioxothiolan-3-yl)-(2-phenylethyl)azanium
Also Known As: 3-Ethoxycarbonylphenylisothiocyanate, (4-hydroxy-1,1-dioxothiolan-3-yl)-phenethylazanium
| Molecular Formula | C12H18NO3S+ |
|---|---|
| Molecular Weight | 256.10 g/mol |
| LogP | -1.0496 |
| Topological Polar Surface Area | 70.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 256.10074 |
| Heavy Atoms | 17 |
| Complexity | 457.8989 |
Chemical Identifiers
| CAS Number | 347364-75-4 |
|---|---|
| SMILES | C1C(C(CS1(=O)=O)O)[NH2+]CCC2=CC=CC=C2 |
Product Overview
(4-Hydroxy-1,1-dioxothiolan-3-yl)-(2-phenylethyl)azanium (CAS 347364-75-4), with molecular formula C12H18NO3S+ and molecular weight 256.10 g/mol. IUPAC: (4-hydroxy-1,1-dioxothiolan-3-yl)-(2-phenylethyl)azanium.
Chemical Property Profile of (4-Hydroxy-1,1-dioxothiolan-3-yl)-(2-phenylethyl)azanium
Property Insights of (4-Hydroxy-1,1-dioxothiolan-3-yl)-(2-phenylethyl)azanium
The XLogP value of -1.0496 indicates that (4-Hydroxy-1,1-dioxothiolan-3-yl)-(2-phenylethyl)azanium is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 70.98 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Hydroxy-1,1-dioxothiolan-3-yl)-(2-phenylethyl)azanium. Following Lipinski's Rule of Five, (4-Hydroxy-1,1-dioxothiolan-3-yl)-(2-phenylethyl)azanium has 2 hydrogen bond donor(s) and 3 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-Hydroxy-1,1-dioxothiolan-3-yl)-(2-phenylethyl)azanium?
The CAS number of (4-Hydroxy-1,1-dioxothiolan-3-yl)-(2-phenylethyl)azanium is 347364-75-4.
What is the molecular formula of (4-Hydroxy-1,1-dioxothiolan-3-yl)-(2-phenylethyl)azanium?
The molecular formula of (4-Hydroxy-1,1-dioxothiolan-3-yl)-(2-phenylethyl)azanium is C12H18NO3S+.
What is the molecular weight of (4-Hydroxy-1,1-dioxothiolan-3-yl)-(2-phenylethyl)azanium?
The molecular weight of (4-Hydroxy-1,1-dioxothiolan-3-yl)-(2-phenylethyl)azanium is 256.10 g/mol.
Where can I buy (4-Hydroxy-1,1-dioxothiolan-3-yl)-(2-phenylethyl)azanium?
You can request a quote for (4-Hydroxy-1,1-dioxothiolan-3-yl)-(2-phenylethyl)azanium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Hydroxy-1,1-dioxothiolan-3-yl)-(2-phenylethyl)azanium?
Yes, KEHONG BIO provides custom synthesis services for (4-Hydroxy-1,1-dioxothiolan-3-yl)-(2-phenylethyl)azanium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.