2-Isothiocyanatoadamantane
TL;DR: 2-Isothiocyanatoadamantane (CAS 65068-86-2) is a chemical compound with molecular formula C11H15NS and molecular weight 193.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-isothiocyanatoadamantane
Also Known As: 2-isothiocyanatoadamantane, 2-Adamantyl isothiocyanate, 2-Adamantylisothiocyanate, 2-adamantane isothiocyanate, Tricyclo[3.3.1.13.7]dec-2-ylisothiocyanat
| Molecular Formula | C11H15NS |
|---|---|
| Molecular Weight | 193.09 g/mol |
| LogP | 2.9139 |
| Topological Polar Surface Area | 12.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 193.09251 |
| Heavy Atoms | 13 |
| Complexity | 239.26384 |
Chemical Identifiers
| CAS Number | 65068-86-2 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)C3N=C=S |
Product Overview
2-Isothiocyanatoadamantane (CAS 65068-86-2), with molecular formula C11H15NS and molecular weight 193.09 g/mol. IUPAC: 2-isothiocyanatoadamantane.
Chemical Property Profile of 2-Isothiocyanatoadamantane
Property Insights of 2-Isothiocyanatoadamantane
The XLogP value of 2.9139 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Isothiocyanatoadamantane. With a topological polar surface area (TPSA) of 12.36 Ų, 2-Isothiocyanatoadamantane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Isothiocyanatoadamantane has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Isothiocyanatoadamantane?
The CAS number of 2-Isothiocyanatoadamantane is 65068-86-2.
What is the molecular formula of 2-Isothiocyanatoadamantane?
The molecular formula of 2-Isothiocyanatoadamantane is C11H15NS.
What is the molecular weight of 2-Isothiocyanatoadamantane?
The molecular weight of 2-Isothiocyanatoadamantane is 193.09 g/mol.
Where can I buy 2-Isothiocyanatoadamantane?
You can request a quote for 2-Isothiocyanatoadamantane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Isothiocyanatoadamantane?
Yes, KEHONG BIO provides custom synthesis services for 2-Isothiocyanatoadamantane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.