2-Acetylcyclohexanethione
TL;DR: 2-Acetylcyclohexanethione (CAS 76698-82-3) is a chemical compound with molecular formula C8H12OS and molecular weight 156.06088 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-sulfanylidenecyclohexyl)ethanone
Also Known As: 2-Acetylcyclohexanethione, 1-(2-thioxocyclohexyl)ethanone, 1-(2-sulfanylidenecyclohexyl)ethanone, 1-(2-Sulfanylidenecyclohexyl)ethan-1-one
Technical Specifications
| Molecular Formula | C8H12OS |
| Molecular Weight | 156.06088 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 49.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 156.06088 Da |
| Heavy Atoms | 10 |
| Complexity | 163.0 |
| SMILES | CC(=O)C1CCCCC1=S |
| InChIKey | IMVBDFHGEYAUIY-UHFFFAOYSA-N |
Product Description
Applications: 2-Acetylcyclohexanethione is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A fine chemical supplied by CoreyChem, 2-Acetylcyclohexanethione (CAS 76698-82-3) has the molecular formula C8H12OS and a molecular weight of 156.06 g/mol. Synonyms include 2-Acetylcyclohexanethione and 1-(2-thioxocyclohexyl)ethanone.
Custom synthesis (mg to ton scale), HPLC/NMR/MS analytical support, and complete COA/MSDS documentation are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 2-Acetylcyclohexanethione
Property Insights of 2-Acetylcyclohexanethione
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Acetylcyclohexanethione. With a topological polar surface area (TPSA) of 49.2 Ų, 2-Acetylcyclohexanethione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Acetylcyclohexanethione 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
What is the CAS number of 2-Acetylcyclohexanethione?
The CAS number of 2-Acetylcyclohexanethione is 76698-82-3.
What is the molecular formula of 2-Acetylcyclohexanethione?
The molecular formula of 2-Acetylcyclohexanethione is C8H12OS.
What is the molecular weight of 2-Acetylcyclohexanethione?
The molecular weight of 2-Acetylcyclohexanethione is 156.06088 g/mol.
What are the applications of 2-Acetylcyclohexanethione?
2-Acetylcyclohexanethione is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC,...
Where can I buy 2-Acetylcyclohexanethione?
You can request a quote for 2-Acetylcyclohexanethione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Acetylcyclohexanethione?
Yes, CoreyChem provides custom synthesis services for 2-Acetylcyclohexanethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.