Octadecane, 1-isothiocyanato-
TL;DR: Octadecane, 1-isothiocyanato- (CAS 2877-26-1) is a chemical compound with molecular formula C19H37NS and molecular weight 311.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isothiocyanatooctadecane
Also Known As: Octadecyl isothiocyanate, 1-isothiocyanatooctadecane, Octadecane, 1-isothiocyanato-, Octadecylisothiocyanate, Octadecane,1-isothiocyanato-
| Molecular Formula | C19H37NS |
|---|---|
| Molecular Weight | 311.26 g/mol |
| LogP | 10.4 |
| Topological Polar Surface Area | 44.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 17 |
| Exact Mass | 311.26468 |
| Heavy Atoms | 21 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 2877-26-1 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCN=C=S |
| InChIKey | VJIRSSFEIRFISD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octadecane, 1-isothiocyanato- (CAS 2877-26-1), with molecular formula C19H37NS and molecular weight 311.26 g/mol. IUPAC: 1-isothiocyanatooctadecane.
Chemical Property Profile of Octadecane, 1-isothiocyanato-
Property Insights of Octadecane, 1-isothiocyanato-
The XLogP value of 10.4 indicates that Octadecane, 1-isothiocyanato- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.5 Ų, Octadecane, 1-isothiocyanato- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octadecane, 1-isothiocyanato- 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 Octadecane, 1-isothiocyanato-?
The CAS number of Octadecane, 1-isothiocyanato- is 2877-26-1.
What is the molecular formula of Octadecane, 1-isothiocyanato-?
The molecular formula of Octadecane, 1-isothiocyanato- is C19H37NS.
What is the molecular weight of Octadecane, 1-isothiocyanato-?
The molecular weight of Octadecane, 1-isothiocyanato- is 311.26 g/mol.
Where can I buy Octadecane, 1-isothiocyanato-?
You can request a quote for Octadecane, 1-isothiocyanato- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octadecane, 1-isothiocyanato-?
Yes, KEHONG BIO provides custom synthesis services for Octadecane, 1-isothiocyanato- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.