Nonyl isothiocyanate
TL;DR: Nonyl isothiocyanate (CAS 4430-43-7) is a chemical compound with molecular formula C10H19NS and molecular weight 185.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isothiocyanatononane
Also Known As: Nonyl isothiocyanate, 1-Isothiocyanatononane, 1-nonyl isothiocyanate, n-nonyl isothiocyanate, NONYLISOTHIOCYANATE
| Molecular Formula | C10H19NS |
|---|---|
| Molecular Weight | 185.12 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 44.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 185.12383 |
| Heavy Atoms | 12 |
| Complexity | 128.0 |
Chemical Identifiers
| CAS Number | 4430-43-7 |
|---|---|
| SMILES | CCCCCCCCCN=C=S |
| InChIKey | GSAYWRFRZHSPQB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nonyl isothiocyanate (CAS 4430-43-7), with molecular formula C10H19NS and molecular weight 185.12 g/mol. IUPAC: 1-isothiocyanatononane.
Chemical Property Profile of Nonyl isothiocyanate
Property Insights of Nonyl isothiocyanate
The XLogP value of 5.6 indicates that Nonyl 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, Nonyl isothiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nonyl 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 Nonyl isothiocyanate?
The CAS number of Nonyl isothiocyanate is 4430-43-7.
What is the molecular formula of Nonyl isothiocyanate?
The molecular formula of Nonyl isothiocyanate is C10H19NS.
What is the molecular weight of Nonyl isothiocyanate?
The molecular weight of Nonyl isothiocyanate is 185.12 g/mol.
Where can I buy Nonyl isothiocyanate?
You can request a quote for Nonyl isothiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nonyl isothiocyanate?
Yes, KEHONG BIO provides custom synthesis services for Nonyl isothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.