Thiocyanic acid, 2,2-diethoxyethyl ester
TL;DR: Thiocyanic acid, 2,2-diethoxyethyl ester (CAS 4833-56-1) is a chemical compound with molecular formula C7H13NO2S and molecular weight 175.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-diethoxyethyl thiocyanate
Also Known As: 2,2-Diethoxyethyl thiocyanate, Thiocyanic acid, 2,2-diethoxyethyl ester, 1,1-diethoxy-2-thiocyanatoethane, 1,1-Diethoxy-2-thiocyanato-ethan, Thiocyanic acide-2,2-diethoxyethyl ester (crude)
| Molecular Formula | C7H13NO2S |
|---|---|
| Molecular Weight | 175.07 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 67.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 175.0667 |
| Heavy Atoms | 11 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 4833-56-1 |
|---|---|
| SMILES | CCOC(CSC#N)OCC |
| InChIKey | GYEKCZCXSJSOQH-UHFFFAOYSA-N |
Product Overview
Thiocyanic acid, 2,2-diethoxyethyl ester (CAS 4833-56-1), with molecular formula C7H13NO2S and molecular weight 175.07 g/mol. IUPAC: 2,2-diethoxyethyl thiocyanate.
Chemical Property Profile of Thiocyanic acid, 2,2-diethoxyethyl ester
Property Insights of Thiocyanic acid, 2,2-diethoxyethyl ester
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiocyanic acid, 2,2-diethoxyethyl ester. The TPSA of 67.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiocyanic acid, 2,2-diethoxyethyl ester. Following Lipinski's Rule of Five, Thiocyanic acid, 2,2-diethoxyethyl ester 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 Thiocyanic acid, 2,2-diethoxyethyl ester?
The CAS number of Thiocyanic acid, 2,2-diethoxyethyl ester is 4833-56-1.
What is the molecular formula of Thiocyanic acid, 2,2-diethoxyethyl ester?
The molecular formula of Thiocyanic acid, 2,2-diethoxyethyl ester is C7H13NO2S.
What is the molecular weight of Thiocyanic acid, 2,2-diethoxyethyl ester?
The molecular weight of Thiocyanic acid, 2,2-diethoxyethyl ester is 175.07 g/mol.
Where can I buy Thiocyanic acid, 2,2-diethoxyethyl ester?
You can request a quote for Thiocyanic acid, 2,2-diethoxyethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiocyanic acid, 2,2-diethoxyethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Thiocyanic acid, 2,2-diethoxyethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.