2-Aminoethyl thiocyanate
TL;DR: 2-Aminoethyl thiocyanate (CAS 52055-29-5) is a chemical compound with molecular formula C3H6N2S and molecular weight 102.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-aminoethyl thiocyanate
Also Known As: 2-thiocyanatoethanamine, 2-aminoethyl thiocyanate, Thiocyanic acid, 2-aminoethyl ester
| Molecular Formula | C3H6N2S |
|---|---|
| Molecular Weight | 102.03 g/mol |
| LogP | 0.15938 |
| Topological Polar Surface Area | 49.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 102.02517 |
| Heavy Atoms | 6 |
| Complexity | 56.303764 |
Chemical Identifiers
| CAS Number | 52055-29-5 |
|---|---|
| SMILES | C(CSC#N)N |
Product Overview
2-Aminoethyl thiocyanate (CAS 52055-29-5), with molecular formula C3H6N2S and molecular weight 102.03 g/mol. IUPAC: 2-aminoethyl thiocyanate.
Chemical Property Profile of 2-Aminoethyl thiocyanate
Property Insights of 2-Aminoethyl thiocyanate
The XLogP value of 0.15938 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Aminoethyl thiocyanate. With a topological polar surface area (TPSA) of 49.81 Ų, 2-Aminoethyl thiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Aminoethyl 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-Aminoethyl thiocyanate?
The CAS number of 2-Aminoethyl thiocyanate is 52055-29-5.
What is the molecular formula of 2-Aminoethyl thiocyanate?
The molecular formula of 2-Aminoethyl thiocyanate is C3H6N2S.
What is the molecular weight of 2-Aminoethyl thiocyanate?
The molecular weight of 2-Aminoethyl thiocyanate is 102.03 g/mol.
Where can I buy 2-Aminoethyl thiocyanate?
You can request a quote for 2-Aminoethyl thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Aminoethyl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 2-Aminoethyl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.