Bicyclo(3.1.1)hept-2-ene, mercapto-2,6,6-trimethyl-
TL;DR: Bicyclo(3.1.1)hept-2-ene, mercapto-2,6,6-trimethyl- (CAS 28606-03-3) is a chemical compound with molecular formula C10H16S and molecular weight 168.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6,6-trimethylbicyclo[3.1.1]hept-2-ene-1-thiol
Also Known As: Pinenmerkaptan, Pinenmerkaptan [Czech], 2-Pinenethiol, BICYCLO(3.1.1)HEPT-2-ENE, MERCAPTO-2,6,6-TRIMETHYL-, 4,6,6-trimethylbicyclo[3.1.1]hept-3-ene-5-thiol
| Molecular Formula | C10H16S |
|---|---|
| Molecular Weight | 168.10 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 168.09727 |
| Heavy Atoms | 11 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 28606-03-3 |
|---|---|
| SMILES | CC1=CCC2CC1(C2(C)C)S |
| InChIKey | KYKXCDSVDJLHMG-UHFFFAOYSA-N |
Product Overview
Bicyclo(3.1.1)hept-2-ene, mercapto-2,6,6-trimethyl- (CAS 28606-03-3), with molecular formula C10H16S and molecular weight 168.10 g/mol. IUPAC: 2,6,6-trimethylbicyclo[3.1.1]hept-2-ene-1-thiol.
Chemical Property Profile of Bicyclo(3.1.1)hept-2-ene, mercapto-2,6,6-trimethyl-
Property Insights of Bicyclo(3.1.1)hept-2-ene, mercapto-2,6,6-trimethyl-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bicyclo(3.1.1)hept-2-ene, mercapto-2,6,6-trimethyl-. With a topological polar surface area (TPSA) of 1.0 Ų, Bicyclo(3.1.1)hept-2-ene, mercapto-2,6,6-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bicyclo(3.1.1)hept-2-ene, mercapto-2,6,6-trimethyl- has 1 hydrogen bond donor(s) and 1 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 Bicyclo(3.1.1)hept-2-ene, mercapto-2,6,6-trimethyl-?
The CAS number of Bicyclo(3.1.1)hept-2-ene, mercapto-2,6,6-trimethyl- is 28606-03-3.
What is the molecular formula of Bicyclo(3.1.1)hept-2-ene, mercapto-2,6,6-trimethyl-?
The molecular formula of Bicyclo(3.1.1)hept-2-ene, mercapto-2,6,6-trimethyl- is C10H16S.
What is the molecular weight of Bicyclo(3.1.1)hept-2-ene, mercapto-2,6,6-trimethyl-?
The molecular weight of Bicyclo(3.1.1)hept-2-ene, mercapto-2,6,6-trimethyl- is 168.10 g/mol.
Where can I buy Bicyclo(3.1.1)hept-2-ene, mercapto-2,6,6-trimethyl-?
You can request a quote for Bicyclo(3.1.1)hept-2-ene, mercapto-2,6,6-trimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bicyclo(3.1.1)hept-2-ene, mercapto-2,6,6-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Bicyclo(3.1.1)hept-2-ene, mercapto-2,6,6-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.