5-(Naphthalen-1-yl)-1,3,4-oxadiazole-2-thiol
TL;DR: 5-(Naphthalen-1-yl)-1,3,4-oxadiazole-2-thiol (CAS 116082-89-4) is a chemical compound with molecular formula C12H8N2OS and molecular weight 228.03574 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-naphthalen-1-yl-3H-1,3,4-oxadiazole-2-thione
Also Known As: 5-(naphthalen-1-yl)-1,3,4-oxadiazole-2-thiol, 5-naphthalen-1-yl-3H-1,3,4-oxadiazole-2-thione, 5-(1-Naphthyl)-1,3,4-oxadiazole-2-thiol, J2.215.209B, 1,3,4-Oxadiazole-2(3H)-thione, 5-(1-naphthalenyl)-
Technical Specifications
| Molecular Formula | C12H8N2OS |
| Molecular Weight | 228.03574 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 65.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 228.03574 Da |
| Heavy Atoms | 16 |
| Complexity | 329.0 |
| SMILES | C1=CC=C2C(=C1)C=CC=C2C3=NNC(=S)O3 |
| InChIKey | QPQZHFCLUMQFBO-UHFFFAOYSA-N |
Chemical Property Profile of 5-(Naphthalen-1-yl)-1,3,4-oxadiazole-2-thiol
Property Insights of 5-(Naphthalen-1-yl)-1,3,4-oxadiazole-2-thiol
The XLogP value of 3.3 indicates that 5-(Naphthalen-1-yl)-1,3,4-oxadiazole-2-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Naphthalen-1-yl)-1,3,4-oxadiazole-2-thiol. Following Lipinski's Rule of Five, 5-(Naphthalen-1-yl)-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
What is the CAS number of 5-(Naphthalen-1-yl)-1,3,4-oxadiazole-2-thiol?
The CAS number of 5-(Naphthalen-1-yl)-1,3,4-oxadiazole-2-thiol is 116082-89-4.
What is the molecular formula of 5-(Naphthalen-1-yl)-1,3,4-oxadiazole-2-thiol?
The molecular formula of 5-(Naphthalen-1-yl)-1,3,4-oxadiazole-2-thiol is C12H8N2OS.
What is the molecular weight of 5-(Naphthalen-1-yl)-1,3,4-oxadiazole-2-thiol?
The molecular weight of 5-(Naphthalen-1-yl)-1,3,4-oxadiazole-2-thiol is 228.03574 g/mol.
Where can I buy 5-(Naphthalen-1-yl)-1,3,4-oxadiazole-2-thiol?
You can request a quote for 5-(Naphthalen-1-yl)-1,3,4-oxadiazole-2-thiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(Naphthalen-1-yl)-1,3,4-oxadiazole-2-thiol?
Yes, CoreyChem provides custom synthesis services for 5-(Naphthalen-1-yl)-1,3,4-oxadiazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.