2-Acetyl-6-isothiocyanatonorbornane
TL;DR: 2-Acetyl-6-isothiocyanatonorbornane (CAS 155418-08-9) is a chemical compound with molecular formula C10H13NOS and molecular weight 195.0718 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(1R,2S,4S,6S)-6-isothiocyanato-2-bicyclo[2.2.1]heptanyl]ethanone
Also Known As: 2-Aicnb, 2-Acetyl-6-isothiocyanatonorbornane, 2-Acetyl-6-isothiocyanate norbornane, 1-(triisopropylsilyloxy)-3-butyne, endo-2-Acetyl-exo-6-isothiocyanatonorbornane
Technical Specifications
| Molecular Formula | C10H13NOS |
| Molecular Weight | 195.0718 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 61.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 195.0718 Da |
| Heavy Atoms | 13 |
| Complexity | 283.0 |
| SMILES | CC(=O)[C@H]1C[C@@H]2C[C@H]1[C@H](C2)N=C=S |
| InChIKey | AYUSDYWETCHGNN-KYXWUPHJSA-N |
Chemical Property Profile of 2-Acetyl-6-isothiocyanatonorbornane
Property Insights of 2-Acetyl-6-isothiocyanatonorbornane
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Acetyl-6-isothiocyanatonorbornane. The TPSA of 61.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Acetyl-6-isothiocyanatonorbornane. Following Lipinski's Rule of Five, 2-Acetyl-6-isothiocyanatonorbornane 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 2-Acetyl-6-isothiocyanatonorbornane?
The CAS number of 2-Acetyl-6-isothiocyanatonorbornane is 155418-08-9.
What is the molecular formula of 2-Acetyl-6-isothiocyanatonorbornane?
The molecular formula of 2-Acetyl-6-isothiocyanatonorbornane is C10H13NOS.
What is the molecular weight of 2-Acetyl-6-isothiocyanatonorbornane?
The molecular weight of 2-Acetyl-6-isothiocyanatonorbornane is 195.0718 g/mol.
Where can I buy 2-Acetyl-6-isothiocyanatonorbornane?
You can request a quote for 2-Acetyl-6-isothiocyanatonorbornane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Acetyl-6-isothiocyanatonorbornane?
Yes, CoreyChem provides custom synthesis services for 2-Acetyl-6-isothiocyanatonorbornane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.