10-Phenyldecyl isothiocyanate
TL;DR: 10-Phenyldecyl isothiocyanate (CAS 157469-21-1) is a chemical compound with molecular formula C17H25NS and molecular weight 275.17078 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
10-isothiocyanatodecylbenzene
Also Known As: 10-Phenyldecyl isothiocyanate, (10-Isothiocyanatodecyl)benzene, 10-isothiocyanatodecylbenzene, Benzene, (10-isothiocyanatodecyl)-, Benzene,(10-isothiocyanatodecyl)-
Technical Specifications
| Molecular Formula | C17H25NS |
| Molecular Weight | 275.17078 g/mol |
| XLogP | 7.5 |
| Topological Polar Surface Area (TPSA) | 44.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 275.17078 Da |
| Heavy Atoms | 19 |
| Complexity | 240.0 |
| SMILES | C1=CC=C(C=C1)CCCCCCCCCCN=C=S |
| InChIKey | YBYYJVWCELMDBH-UHFFFAOYSA-N |
Chemical Property Profile of 10-Phenyldecyl isothiocyanate
Property Insights of 10-Phenyldecyl isothiocyanate
The XLogP value of 7.5 indicates that 10-Phenyldecyl 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, 10-Phenyldecyl isothiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 10-Phenyldecyl isothiocyanate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 10-Phenyldecyl isothiocyanate?
The CAS number of 10-Phenyldecyl isothiocyanate is 157469-21-1.
What is the molecular formula of 10-Phenyldecyl isothiocyanate?
The molecular formula of 10-Phenyldecyl isothiocyanate is C17H25NS.
What is the molecular weight of 10-Phenyldecyl isothiocyanate?
The molecular weight of 10-Phenyldecyl isothiocyanate is 275.17078 g/mol.
Where can I buy 10-Phenyldecyl isothiocyanate?
You can request a quote for 10-Phenyldecyl isothiocyanate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 10-Phenyldecyl isothiocyanate?
Yes, CoreyChem provides custom synthesis services for 10-Phenyldecyl isothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.