O-methyl adamantane-1-carbothioate
TL;DR: O-methyl adamantane-1-carbothioate (CAS 123933-30-2) is a chemical compound with molecular formula C12H18OS and molecular weight 210.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-methyl adamantane-1-carbothioate
Also Known As: O-methyl adamantane-1-carbothioate, O-Methyl 1-adamantanecarbothioate, methyl adamantane-1-carbothioate
| Molecular Formula | C12H18OS |
|---|---|
| Molecular Weight | 210.11 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 41.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 210.10783 |
| Heavy Atoms | 14 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 123933-30-2 |
|---|---|
| SMILES | COC(=S)C12CC3CC(C1)CC(C3)C2 |
| InChIKey | MDQFEQXUVSEQOI-UHFFFAOYSA-N |
Product Overview
O-methyl adamantane-1-carbothioate (CAS 123933-30-2), with molecular formula C12H18OS and molecular weight 210.11 g/mol. IUPAC: O-methyl adamantane-1-carbothioate.
Chemical Property Profile of O-methyl adamantane-1-carbothioate
Property Insights of O-methyl adamantane-1-carbothioate
The XLogP value of 3.3 indicates that O-methyl adamantane-1-carbothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.3 Ų, O-methyl adamantane-1-carbothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-methyl adamantane-1-carbothioate 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
Frequently Asked Questions
What is the CAS number of O-methyl adamantane-1-carbothioate?
The CAS number of O-methyl adamantane-1-carbothioate is 123933-30-2.
What is the molecular formula of O-methyl adamantane-1-carbothioate?
The molecular formula of O-methyl adamantane-1-carbothioate is C12H18OS.
What is the molecular weight of O-methyl adamantane-1-carbothioate?
The molecular weight of O-methyl adamantane-1-carbothioate is 210.11 g/mol.
Where can I buy O-methyl adamantane-1-carbothioate?
You can request a quote for O-methyl adamantane-1-carbothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-methyl adamantane-1-carbothioate?
Yes, KEHONG BIO provides custom synthesis services for O-methyl adamantane-1-carbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.