1-Isothiocyanatononan-5-one
TL;DR: 1-Isothiocyanatononan-5-one (CAS 153495-64-8) is a chemical compound with molecular formula C10H17NOS and molecular weight 199.10309 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-isothiocyanatononan-5-one
Also Known As: 1-isothiocyanatononan-5-one, 1-Isothiocyanato-5-nonanone, 5-Nonanone, 1-isothiocyanato-
Technical Specifications
| Molecular Formula | C10H17NOS |
| Molecular Weight | 199.10309 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 61.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 199.10309 Da |
| Heavy Atoms | 13 |
| Complexity | 185.0 |
| SMILES | CCCCC(=O)CCCCN=C=S |
| InChIKey | WOVRFYASKJKDPT-UHFFFAOYSA-N |
Chemical Property Profile of 1-Isothiocyanatononan-5-one
Property Insights of 1-Isothiocyanatononan-5-one
The XLogP value of 3.3 indicates that 1-Isothiocyanatononan-5-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Isothiocyanatononan-5-one. Following Lipinski's Rule of Five, 1-Isothiocyanatononan-5-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Isothiocyanatononan-5-one?
The CAS number of 1-Isothiocyanatononan-5-one is 153495-64-8.
What is the molecular formula of 1-Isothiocyanatononan-5-one?
The molecular formula of 1-Isothiocyanatononan-5-one is C10H17NOS.
What is the molecular weight of 1-Isothiocyanatononan-5-one?
The molecular weight of 1-Isothiocyanatononan-5-one is 199.10309 g/mol.
Where can I buy 1-Isothiocyanatononan-5-one?
You can request a quote for 1-Isothiocyanatononan-5-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Isothiocyanatononan-5-one?
Yes, CoreyChem provides custom synthesis services for 1-Isothiocyanatononan-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.