2-Amino-2-oxoethyl thiocyanate
TL;DR: 2-Amino-2-oxoethyl thiocyanate (CAS 5875-28-5) is a chemical compound with molecular formula C3H4N2OS and molecular weight 116.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-amino-2-oxoethyl) thiocyanate
Also Known As: Thiocyanatoacetamide, thiocyanoacetamide, 2-Thiocyanatoacetamide, Carbamoylmethyl thiocyanate, Acetamide, 2-thiocyanato-
| Molecular Formula | C3H4N2OS |
|---|---|
| Molecular Weight | 116.00 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 92.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 116.00443 |
| Heavy Atoms | 7 |
| Complexity | 113.0 |
Chemical Identifiers
| CAS Number | 5875-28-5 |
|---|---|
| SMILES | C(C(=O)N)SC#N |
| InChIKey | HULACTSWGYVJQP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Amino-2-oxoethyl thiocyanate (CAS 5875-28-5), with molecular formula C3H4N2OS and molecular weight 116.00 g/mol. IUPAC: (2-amino-2-oxoethyl) thiocyanate.
Chemical Property Profile of 2-Amino-2-oxoethyl thiocyanate
Property Insights of 2-Amino-2-oxoethyl thiocyanate
The XLogP value of -0.1 indicates that 2-Amino-2-oxoethyl thiocyanate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 92.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-2-oxoethyl thiocyanate. Following Lipinski's Rule of Five, 2-Amino-2-oxoethyl thiocyanate has 1 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 2-Amino-2-oxoethyl thiocyanate?
The CAS number of 2-Amino-2-oxoethyl thiocyanate is 5875-28-5.
What is the molecular formula of 2-Amino-2-oxoethyl thiocyanate?
The molecular formula of 2-Amino-2-oxoethyl thiocyanate is C3H4N2OS.
What is the molecular weight of 2-Amino-2-oxoethyl thiocyanate?
The molecular weight of 2-Amino-2-oxoethyl thiocyanate is 116.00 g/mol.
Where can I buy 2-Amino-2-oxoethyl thiocyanate?
You can request a quote for 2-Amino-2-oxoethyl thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-2-oxoethyl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-2-oxoethyl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.