1-(Adamantan-1-yl)-2-((5-(methylthio)-1,3,4-thiadiazol-2-yl)thio)ethan-1-one
TL;DR: 1-(Adamantan-1-yl)-2-((5-(methylthio)-1,3,4-thiadiazol-2-yl)thio)ethan-1-one (CAS 792960-91-9) is a chemical compound with molecular formula C15H20N2OS3 and molecular weight 340.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-adamantyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
Also Known As: 1-(Adamantan-1-yl)-2-((5-(methylthio)-1,3,4-thiadiazol-2-yl)thio)ethan-1-one, 1-(adamantan-1-yl)-2-{[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}ethan-1-one, 1-(1-adamantyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone, 1-(Adamantan-1-yl)-2-[[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethan-1-one, 1-(Adamantan-1-yl)-2-[[5-(methylthio)-1,3,4-thiadiazol-2-yl]thio]ethanone
| Molecular Formula | C15H20N2OS3 |
|---|---|
| Molecular Weight | 340.07 g/mol |
| LogP | 4.1376 |
| Topological Polar Surface Area | 42.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 340.0738 |
| Heavy Atoms | 21 |
| Complexity | 521.58435 |
Chemical Identifiers
| CAS Number | 792960-91-9 |
|---|---|
| SMILES | CSC1=NN=C(S1)SCC(=O)C23CC4CC(C2)CC(C4)C3 |
Product Overview
1-(Adamantan-1-yl)-2-((5-(methylthio)-1,3,4-thiadiazol-2-yl)thio)ethan-1-one (CAS 792960-91-9), with molecular formula C15H20N2OS3 and molecular weight 340.07 g/mol. IUPAC: 1-(1-adamantyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone.
Chemical Property Profile of 1-(Adamantan-1-yl)-2-((5-(methylthio)-1,3,4-thiadiazol-2-yl)thio)ethan-1-one
Property Insights of 1-(Adamantan-1-yl)-2-((5-(methylthio)-1,3,4-thiadiazol-2-yl)thio)ethan-1-one
The XLogP value of 4.1376 indicates that 1-(Adamantan-1-yl)-2-((5-(methylthio)-1,3,4-thiadiazol-2-yl)thio)ethan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.85 Ų, 1-(Adamantan-1-yl)-2-((5-(methylthio)-1,3,4-thiadiazol-2-yl)thio)ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Adamantan-1-yl)-2-((5-(methylthio)-1,3,4-thiadiazol-2-yl)thio)ethan-1-one has 0 hydrogen bond donor(s) and 6 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 1-(Adamantan-1-yl)-2-((5-(methylthio)-1,3,4-thiadiazol-2-yl)thio)ethan-1-one?
The CAS number of 1-(Adamantan-1-yl)-2-((5-(methylthio)-1,3,4-thiadiazol-2-yl)thio)ethan-1-one is 792960-91-9.
What is the molecular formula of 1-(Adamantan-1-yl)-2-((5-(methylthio)-1,3,4-thiadiazol-2-yl)thio)ethan-1-one?
The molecular formula of 1-(Adamantan-1-yl)-2-((5-(methylthio)-1,3,4-thiadiazol-2-yl)thio)ethan-1-one is C15H20N2OS3.
What is the molecular weight of 1-(Adamantan-1-yl)-2-((5-(methylthio)-1,3,4-thiadiazol-2-yl)thio)ethan-1-one?
The molecular weight of 1-(Adamantan-1-yl)-2-((5-(methylthio)-1,3,4-thiadiazol-2-yl)thio)ethan-1-one is 340.07 g/mol.
Where can I buy 1-(Adamantan-1-yl)-2-((5-(methylthio)-1,3,4-thiadiazol-2-yl)thio)ethan-1-one?
You can request a quote for 1-(Adamantan-1-yl)-2-((5-(methylthio)-1,3,4-thiadiazol-2-yl)thio)ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Adamantan-1-yl)-2-((5-(methylthio)-1,3,4-thiadiazol-2-yl)thio)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(Adamantan-1-yl)-2-((5-(methylthio)-1,3,4-thiadiazol-2-yl)thio)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.