Cyclohexylmethanethiol acetate
TL;DR: Cyclohexylmethanethiol acetate (CAS 107512-01-6) is a chemical compound with molecular formula C9H16OS and molecular weight 172.0922 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
S-(cyclohexylmethyl) ethanethioate
Also Known As: Cyclohexylmethanethiol acetate, S-(cyclohexylmethyl) ethanethioate, 1-Acetylmercapto-cyclohexen-(1), CYCLOHEXYLMETHANETHIOL ACETATE 97, 1-(cyclohexylmethylsulfanyl)ethanone
Technical Specifications
| Molecular Formula | C9H16OS |
| Molecular Weight | 172.0922 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 172.0922 Da |
| Heavy Atoms | 11 |
| Complexity | 128.0 |
| SMILES | CC(=O)SCC1CCCCC1 |
| InChIKey | SARKVIALWOJVNK-UHFFFAOYSA-N |
Chemical Property Profile of Cyclohexylmethanethiol acetate
Property Insights of Cyclohexylmethanethiol acetate
The XLogP value of 3.0 indicates that Cyclohexylmethanethiol acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, Cyclohexylmethanethiol acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexylmethanethiol acetate 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 Cyclohexylmethanethiol acetate?
The CAS number of Cyclohexylmethanethiol acetate is 107512-01-6.
What is the molecular formula of Cyclohexylmethanethiol acetate?
The molecular formula of Cyclohexylmethanethiol acetate is C9H16OS.
What is the molecular weight of Cyclohexylmethanethiol acetate?
The molecular weight of Cyclohexylmethanethiol acetate is 172.0922 g/mol.
Where can I buy Cyclohexylmethanethiol acetate?
You can request a quote for Cyclohexylmethanethiol acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cyclohexylmethanethiol acetate?
Yes, CoreyChem provides custom synthesis services for Cyclohexylmethanethiol acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.