![(1S,3S,4S,6R)-4-ethylsulfanyl-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol structure](/static/products/127/127181-78-6.webp)
(1S,3S,4S,6R)-4-ethylsulfanyl-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol
TL;DR: (1S,3S,4S,6R)-4-ethylsulfanyl-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol (CAS 127181-78-6) is a chemical compound with molecular formula C12H22OS and molecular weight 214.13913 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S,3S,4S,6R)-4-ethylsulfanyl-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol
Also Known As: (1R,3S,4S,6S)-3-ethylsulfanyl-4,7,7-trimethylbicyclo[4.1.0]heptan-4-ol
Technical Specifications
| Molecular Formula | C12H22OS |
| Molecular Weight | 214.13913 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 45.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 214.13913 Da |
| Heavy Atoms | 14 |
| Complexity | 238.0 |
| SMILES | CCS[C@H]1C[C@@H]2[C@@H](C2(C)C)C[C@]1(C)O |
| InChIKey | PLYPEPUHGIDMKG-WDCWCFNPSA-N |
Chemical Property Profile of (1S,3S,4S,6R)-4-ethylsulfanyl-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol
Property Insights of (1S,3S,4S,6R)-4-ethylsulfanyl-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1S,3S,4S,6R)-4-ethylsulfanyl-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol. With a topological polar surface area (TPSA) of 45.5 Ų, (1S,3S,4S,6R)-4-ethylsulfanyl-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1S,3S,4S,6R)-4-ethylsulfanyl-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (1S,3S,4S,6R)-4-ethylsulfanyl-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol?
The CAS number of (1S,3S,4S,6R)-4-ethylsulfanyl-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol is 127181-78-6.
What is the molecular formula of (1S,3S,4S,6R)-4-ethylsulfanyl-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol?
The molecular formula of (1S,3S,4S,6R)-4-ethylsulfanyl-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol is C12H22OS.
What is the molecular weight of (1S,3S,4S,6R)-4-ethylsulfanyl-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol?
The molecular weight of (1S,3S,4S,6R)-4-ethylsulfanyl-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol is 214.13913 g/mol.
Where can I buy (1S,3S,4S,6R)-4-ethylsulfanyl-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol?
You can request a quote for (1S,3S,4S,6R)-4-ethylsulfanyl-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (1S,3S,4S,6R)-4-ethylsulfanyl-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol?
Yes, CoreyChem provides custom synthesis services for (1S,3S,4S,6R)-4-ethylsulfanyl-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.