![2-Isothiocyanato-2,3,3-trimethylbicyclo[2.2.1]heptane structure](/static/products/862/86239-97-6.png)
2-Isothiocyanato-2,3,3-trimethylbicyclo[2.2.1]heptane
TL;DR: 2-Isothiocyanato-2,3,3-trimethylbicyclo[2.2.1]heptane (CAS 86239-97-6) is a chemical compound with molecular formula C11H17NS and molecular weight 195.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-isothiocyanato-2,3,3-trimethylbicyclo[2.2.1]heptane
Also Known As: 2-isothiocyanato-2,3,3-trimethylbicyclo[2.2.1]heptane, 2,3,3-Trimethyl-2-norbornyl Isothiocyanic Acid Ester, 2,3,3-trimethylbicyclo[2.2.1]hept-2-yl isothiocyanate, Bicyclo[2.2.1]heptane, 2-isothiocyanato-2,3,3-trimethyl-, 2-isothiocyanato-2,3,3-trimethyl-norbornane
| Molecular Formula | C11H17NS |
|---|---|
| Molecular Weight | 195.11 g/mol |
| LogP | 3.304 |
| Topological Polar Surface Area | 12.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 195.10817 |
| Heavy Atoms | 13 |
| Complexity | 277.81488 |
Chemical Identifiers
| CAS Number | 86239-97-6 |
|---|---|
| SMILES | CC1(C2CCC(C2)C1(C)N=C=S)C |
Product Overview
2-Isothiocyanato-2,3,3-trimethylbicyclo[2.2.1]heptane (CAS 86239-97-6), with molecular formula C11H17NS and molecular weight 195.11 g/mol. IUPAC: 2-isothiocyanato-2,3,3-trimethylbicyclo[2.2.1]heptane.
Chemical Property Profile of 2-Isothiocyanato-2,3,3-trimethylbicyclo[2.2.1]heptane
Property Insights of 2-Isothiocyanato-2,3,3-trimethylbicyclo[2.2.1]heptane
The XLogP value of 3.304 indicates that 2-Isothiocyanato-2,3,3-trimethylbicyclo[2.2.1]heptane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.36 Ų, 2-Isothiocyanato-2,3,3-trimethylbicyclo[2.2.1]heptane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Isothiocyanato-2,3,3-trimethylbicyclo[2.2.1]heptane 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-Isothiocyanato-2,3,3-trimethylbicyclo[2.2.1]heptane?
The CAS number of 2-Isothiocyanato-2,3,3-trimethylbicyclo[2.2.1]heptane is 86239-97-6.
What is the molecular formula of 2-Isothiocyanato-2,3,3-trimethylbicyclo[2.2.1]heptane?
The molecular formula of 2-Isothiocyanato-2,3,3-trimethylbicyclo[2.2.1]heptane is C11H17NS.
What is the molecular weight of 2-Isothiocyanato-2,3,3-trimethylbicyclo[2.2.1]heptane?
The molecular weight of 2-Isothiocyanato-2,3,3-trimethylbicyclo[2.2.1]heptane is 195.11 g/mol.
Where can I buy 2-Isothiocyanato-2,3,3-trimethylbicyclo[2.2.1]heptane?
You can request a quote for 2-Isothiocyanato-2,3,3-trimethylbicyclo[2.2.1]heptane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Isothiocyanato-2,3,3-trimethylbicyclo[2.2.1]heptane?
Yes, KEHONG BIO provides custom synthesis services for 2-Isothiocyanato-2,3,3-trimethylbicyclo[2.2.1]heptane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.