Tetradecyl isothiocyanate
TL;DR: Tetradecyl isothiocyanate (CAS 3224-48-4) is a chemical compound with molecular formula C15H29NS and molecular weight 255.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isothiocyanatotetradecane
Also Known As: Tetradecyl isothiocyanate, 1-Isothiocyanatotetradecane, 1-Tetradecyl isothiocyanate, n-Tetradecyl isothiocyanate, myristyl isothiocyanate
| Molecular Formula | C15H29NS |
|---|---|
| Molecular Weight | 255.20 g/mol |
| LogP | 8.3 |
| Topological Polar Surface Area | 44.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 13 |
| Exact Mass | 255.20207 |
| Heavy Atoms | 17 |
| Complexity | 185.0 |
Chemical Identifiers
| CAS Number | 3224-48-4 |
|---|---|
| SMILES | CCCCCCCCCCCCCCN=C=S |
| InChIKey | PMVOXLZEOLARED-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tetradecyl isothiocyanate (CAS 3224-48-4), with molecular formula C15H29NS and molecular weight 255.20 g/mol. IUPAC: 1-isothiocyanatotetradecane.
Chemical Property Profile of Tetradecyl isothiocyanate
Property Insights of Tetradecyl isothiocyanate
The XLogP value of 8.3 indicates that Tetradecyl isothiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.5 Ų, Tetradecyl isothiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tetradecyl isothiocyanate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tetradecyl isothiocyanate?
The CAS number of Tetradecyl isothiocyanate is 3224-48-4.
What is the molecular formula of Tetradecyl isothiocyanate?
The molecular formula of Tetradecyl isothiocyanate is C15H29NS.
What is the molecular weight of Tetradecyl isothiocyanate?
The molecular weight of Tetradecyl isothiocyanate is 255.20 g/mol.
Where can I buy Tetradecyl isothiocyanate?
You can request a quote for Tetradecyl isothiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetradecyl isothiocyanate?
Yes, KEHONG BIO provides custom synthesis services for Tetradecyl isothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.