5-(1-Adamantyl)-1,3,4-oxadiazole-2-thiol
TL;DR: 5-(1-Adamantyl)-1,3,4-oxadiazole-2-thiol (CAS 197514-90-2) is a chemical compound with molecular formula C12H16N2OS and molecular weight 236.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1-adamantyl)-3H-1,3,4-oxadiazole-2-thione
Also Known As: 5-(1-adamantyl)-1,3,4-oxadiazole-2-thiol, 5-(Adamantan-1-yl)-1,3,4-oxadiazole-2-thiol, 5-(1-adamantyl)-3H-1,3,4-oxadiazole-2-thione, 5-adamantanyl-1,3,4-oxadiazole-2-thiol, 5-(1-adamantyl)-1,3,4-oxadiazole-2(3H)-thione
| Molecular Formula | C12H16N2OS |
|---|---|
| Molecular Weight | 236.10 g/mol |
| LogP | 3.19999 |
| Topological Polar Surface Area | 41.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 236.09833 |
| Heavy Atoms | 16 |
| Complexity | 440.07913 |
Chemical Identifiers
| CAS Number | 197514-90-2 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C4=NNC(=S)O4 |
Product Overview
5-(1-Adamantyl)-1,3,4-oxadiazole-2-thiol (CAS 197514-90-2), with molecular formula C12H16N2OS and molecular weight 236.10 g/mol. IUPAC: 5-(1-adamantyl)-3H-1,3,4-oxadiazole-2-thione.
Chemical Property Profile of 5-(1-Adamantyl)-1,3,4-oxadiazole-2-thiol
Property Insights of 5-(1-Adamantyl)-1,3,4-oxadiazole-2-thiol
The XLogP value of 3.19999 indicates that 5-(1-Adamantyl)-1,3,4-oxadiazole-2-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.82 Ų, 5-(1-Adamantyl)-1,3,4-oxadiazole-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(1-Adamantyl)-1,3,4-oxadiazole-2-thiol 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
Frequently Asked Questions
What is the CAS number of 5-(1-Adamantyl)-1,3,4-oxadiazole-2-thiol?
The CAS number of 5-(1-Adamantyl)-1,3,4-oxadiazole-2-thiol is 197514-90-2.
What is the molecular formula of 5-(1-Adamantyl)-1,3,4-oxadiazole-2-thiol?
The molecular formula of 5-(1-Adamantyl)-1,3,4-oxadiazole-2-thiol is C12H16N2OS.
What is the molecular weight of 5-(1-Adamantyl)-1,3,4-oxadiazole-2-thiol?
The molecular weight of 5-(1-Adamantyl)-1,3,4-oxadiazole-2-thiol is 236.10 g/mol.
Where can I buy 5-(1-Adamantyl)-1,3,4-oxadiazole-2-thiol?
You can request a quote for 5-(1-Adamantyl)-1,3,4-oxadiazole-2-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(1-Adamantyl)-1,3,4-oxadiazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(1-Adamantyl)-1,3,4-oxadiazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.