4-Decylphenyl isothiocyanate
TL;DR: 4-Decylphenyl isothiocyanate (CAS 206559-54-8) is a chemical compound with molecular formula C17H25NS and molecular weight 275.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-decyl-4-isothiocyanatobenzene
Also Known As: 4-Decylphenyl isothiocyanate, 1-Decyl-4-isothiocyanatobenzene, 4-Decylphenylisothiocyanate, 2-ADAMANTYLZINCBROMIDE, Benzene, 1-decyl-4-isothiocyanato-
| Molecular Formula | C17H25NS |
|---|---|
| Molecular Weight | 275.17 g/mol |
| LogP | 8.2 |
| Topological Polar Surface Area | 44.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 275.17078 |
| Heavy Atoms | 19 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 206559-54-8 |
|---|---|
| SMILES | CCCCCCCCCCC1=CC=C(C=C1)N=C=S |
| InChIKey | KLRFMWXUZQXOFA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Decylphenyl isothiocyanate (CAS 206559-54-8), with molecular formula C17H25NS and molecular weight 275.17 g/mol. IUPAC: 1-decyl-4-isothiocyanatobenzene.
Chemical Property Profile of 4-Decylphenyl isothiocyanate
Property Insights of 4-Decylphenyl isothiocyanate
The XLogP value of 8.2 indicates that 4-Decylphenyl 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, 4-Decylphenyl isothiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Decylphenyl 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 4-Decylphenyl isothiocyanate?
The CAS number of 4-Decylphenyl isothiocyanate is 206559-54-8.
What is the molecular formula of 4-Decylphenyl isothiocyanate?
The molecular formula of 4-Decylphenyl isothiocyanate is C17H25NS.
What is the molecular weight of 4-Decylphenyl isothiocyanate?
The molecular weight of 4-Decylphenyl isothiocyanate is 275.17 g/mol.
Where can I buy 4-Decylphenyl isothiocyanate?
You can request a quote for 4-Decylphenyl isothiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Decylphenyl isothiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 4-Decylphenyl isothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.