Thiocyanic acid, (12-aminododecyl) ester
TL;DR: Thiocyanic acid, (12-aminododecyl) ester (CAS 64047-97-8) is a chemical compound with molecular formula C13H26N2S and molecular weight 242.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-aminododecyl thiocyanate
Also Known As: Laurylamine thiocyanate, 12-aminododecyl thiocyanate, Thiocyanic acid, (12-aminododecyl) ester, Thiocyanic acid,12-aminododecyl ester, Thiocyanic acid, 12-aminododecyl ester
| Molecular Formula | C13H26N2S |
|---|---|
| Molecular Weight | 242.18 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 75.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 242.18167 |
| Heavy Atoms | 16 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 64047-97-8 |
|---|---|
| SMILES | C(CCCCCCSC#N)CCCCCN |
| InChIKey | NAJZMMXVEXOFBK-UHFFFAOYSA-N |
Product Overview
Thiocyanic acid, (12-aminododecyl) ester (CAS 64047-97-8), with molecular formula C13H26N2S and molecular weight 242.18 g/mol. IUPAC: 12-aminododecyl thiocyanate.
Chemical Property Profile of Thiocyanic acid, (12-aminododecyl) ester
Property Insights of Thiocyanic acid, (12-aminododecyl) ester
The XLogP value of 4.7 indicates that Thiocyanic acid, (12-aminododecyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiocyanic acid, (12-aminododecyl) ester. Following Lipinski's Rule of Five, Thiocyanic acid, (12-aminododecyl) ester 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 Thiocyanic acid, (12-aminododecyl) ester?
The CAS number of Thiocyanic acid, (12-aminododecyl) ester is 64047-97-8.
What is the molecular formula of Thiocyanic acid, (12-aminododecyl) ester?
The molecular formula of Thiocyanic acid, (12-aminododecyl) ester is C13H26N2S.
What is the molecular weight of Thiocyanic acid, (12-aminododecyl) ester?
The molecular weight of Thiocyanic acid, (12-aminododecyl) ester is 242.18 g/mol.
Where can I buy Thiocyanic acid, (12-aminododecyl) ester?
You can request a quote for Thiocyanic acid, (12-aminododecyl) 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, (12-aminododecyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Thiocyanic acid, (12-aminododecyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.