Thiocyanic acid, 4,7,7-trimethylbicyclo(2.2.1)hept-2-yl ester, exo-
TL;DR: Thiocyanic acid, 4,7,7-trimethylbicyclo(2.2.1)hept-2-yl ester, exo- (CAS 7492-22-0) 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.
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) thiocyanate
Also Known As: ISOBORNYL THIOCYANATE, Thiocyanic acid, isobornyl ester, (4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) thiocyanate, (1,7,7-Trimethyl-6-bicyclo[2.2.1]heptanyl)thiocyanate, 1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl thiocyanate
| Molecular Formula | C11H17NS |
|---|---|
| Molecular Weight | 195.11 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 195.10817 |
| Heavy Atoms | 13 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 7492-22-0 |
|---|---|
| SMILES | CC1(C2CCC1(C(C2)SC#N)C)C |
| InChIKey | SBLJHJFELRVSEP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thiocyanic acid, 4,7,7-trimethylbicyclo(2.2.1)hept-2-yl ester, exo- (CAS 7492-22-0), with molecular formula C11H17NS and molecular weight 195.11 g/mol. IUPAC: (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) thiocyanate.
Chemical Property Profile of Thiocyanic acid, 4,7,7-trimethylbicyclo(2.2.1)hept-2-yl ester, exo-
Property Insights of Thiocyanic acid, 4,7,7-trimethylbicyclo(2.2.1)hept-2-yl ester, exo-
The XLogP value of 4.1 indicates that Thiocyanic acid, 4,7,7-trimethylbicyclo(2.2.1)hept-2-yl ester, exo- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.1 Ų, Thiocyanic acid, 4,7,7-trimethylbicyclo(2.2.1)hept-2-yl ester, exo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiocyanic acid, 4,7,7-trimethylbicyclo(2.2.1)hept-2-yl ester, exo- 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 Thiocyanic acid, 4,7,7-trimethylbicyclo(2.2.1)hept-2-yl ester, exo-?
The CAS number of Thiocyanic acid, 4,7,7-trimethylbicyclo(2.2.1)hept-2-yl ester, exo- is 7492-22-0.
What is the molecular formula of Thiocyanic acid, 4,7,7-trimethylbicyclo(2.2.1)hept-2-yl ester, exo-?
The molecular formula of Thiocyanic acid, 4,7,7-trimethylbicyclo(2.2.1)hept-2-yl ester, exo- is C11H17NS.
What is the molecular weight of Thiocyanic acid, 4,7,7-trimethylbicyclo(2.2.1)hept-2-yl ester, exo-?
The molecular weight of Thiocyanic acid, 4,7,7-trimethylbicyclo(2.2.1)hept-2-yl ester, exo- is 195.11 g/mol.
Where can I buy Thiocyanic acid, 4,7,7-trimethylbicyclo(2.2.1)hept-2-yl ester, exo-?
You can request a quote for Thiocyanic acid, 4,7,7-trimethylbicyclo(2.2.1)hept-2-yl ester, exo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiocyanic acid, 4,7,7-trimethylbicyclo(2.2.1)hept-2-yl ester, exo-?
Yes, KEHONG BIO provides custom synthesis services for Thiocyanic acid, 4,7,7-trimethylbicyclo(2.2.1)hept-2-yl ester, exo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.