1-Methylheptyl mercaptoacetate
TL;DR: 1-Methylheptyl mercaptoacetate (CAS 93981-31-8) is a chemical compound with molecular formula C10H20O2S and molecular weight 204.11841 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
octan-2-yl 2-sulfanylacetate
Also Known As: 1-Methylheptyl mercaptoacetate, octan-2-yl 2-sulfanylacetate, 1-methylheptylmercaptoacetate, 2-Octanyl sulfanylacetate, Octan-2-yl sulfanylacetate
Technical Specifications
| Molecular Formula | C10H20O2S |
| Molecular Weight | 204.11841 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 27.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 204.11841 Da |
| Heavy Atoms | 13 |
| Complexity | 137.0 |
| SMILES | CCCCCCC(C)OC(=O)CS |
| InChIKey | ULKCVDYSSGJDNH-UHFFFAOYSA-N |
Chemical Property Profile of 1-Methylheptyl mercaptoacetate
Property Insights of 1-Methylheptyl mercaptoacetate
The XLogP value of 3.7 indicates that 1-Methylheptyl mercaptoacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.3 Ų, 1-Methylheptyl mercaptoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methylheptyl mercaptoacetate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Methylheptyl mercaptoacetate?
The CAS number of 1-Methylheptyl mercaptoacetate is 93981-31-8.
What is the molecular formula of 1-Methylheptyl mercaptoacetate?
The molecular formula of 1-Methylheptyl mercaptoacetate is C10H20O2S.
What is the molecular weight of 1-Methylheptyl mercaptoacetate?
The molecular weight of 1-Methylheptyl mercaptoacetate is 204.11841 g/mol.
Where can I buy 1-Methylheptyl mercaptoacetate?
You can request a quote for 1-Methylheptyl mercaptoacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Methylheptyl mercaptoacetate?
Yes, CoreyChem provides custom synthesis services for 1-Methylheptyl mercaptoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.