S-Nitrosomercaptoethanol
TL;DR: S-Nitrosomercaptoethanol (CAS 67616-44-8) is a chemical compound with molecular formula C2H5NO2S and molecular weight 107.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitrososulfanylethanol
Also Known As: S-Nitrosomercaptoethanol, 2-Mercaptoethanol thionitrite, 2-(Nitrosothio)ethanol, 2-nitrososulfanylethanol, 2-(nitrososulfanyl)ethanol
| Molecular Formula | C2H5NO2S |
|---|---|
| Molecular Weight | 107.00 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 75.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 107.0041 |
| Heavy Atoms | 6 |
| Complexity | 40.0 |
Chemical Identifiers
| CAS Number | 67616-44-8 |
|---|---|
| SMILES | C(CSN=O)O |
| InChIKey | AVGNNQMFRRYDBY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-Nitrosomercaptoethanol (CAS 67616-44-8), with molecular formula C2H5NO2S and molecular weight 107.00 g/mol. IUPAC: 2-nitrososulfanylethanol.
Chemical Property Profile of S-Nitrosomercaptoethanol
Property Insights of S-Nitrosomercaptoethanol
The XLogP value of -0.5 indicates that S-Nitrosomercaptoethanol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 75.0 Ų falls within the moderate polarity range, balancing permeability and solubility for S-Nitrosomercaptoethanol. Following Lipinski's Rule of Five, S-Nitrosomercaptoethanol has 1 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 S-Nitrosomercaptoethanol?
The CAS number of S-Nitrosomercaptoethanol is 67616-44-8.
What is the molecular formula of S-Nitrosomercaptoethanol?
The molecular formula of S-Nitrosomercaptoethanol is C2H5NO2S.
What is the molecular weight of S-Nitrosomercaptoethanol?
The molecular weight of S-Nitrosomercaptoethanol is 107.00 g/mol.
Where can I buy S-Nitrosomercaptoethanol?
You can request a quote for S-Nitrosomercaptoethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Nitrosomercaptoethanol?
Yes, KEHONG BIO provides custom synthesis services for S-Nitrosomercaptoethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.