5-Methyl-1,3,4-oxadiazole-2-thiol
TL;DR: 5-Methyl-1,3,4-oxadiazole-2-thiol (CAS 7146-26-1) is a chemical compound with molecular formula C3H4N2OS and molecular weight 116.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-3H-1,3,4-oxadiazole-2-thione
Also Known As: 5-methyl-1,3,4-oxadiazole-2-thiol, 5-Methyl-[1,3,4]oxadiazole-2-thiol, 2-aminothiazol-4-ol, 5-methyl-3H-1,3,4-oxadiazole-2-thione, 5-METHYL-1,3,4-OXADIAZOLE-2(3H)-THIONE
| Molecular Formula | C3H4N2OS |
|---|---|
| Molecular Weight | 116.00 g/mol |
| LogP | 1.04061 |
| Topological Polar Surface Area | 41.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 116.00443 |
| Heavy Atoms | 7 |
| Complexity | 200.69986 |
Chemical Identifiers
| CAS Number | 7146-26-1 |
|---|---|
| SMILES | CC1=NNC(=S)O1 |
Product Overview
5-Methyl-1,3,4-oxadiazole-2-thiol (CAS 7146-26-1), with molecular formula C3H4N2OS and molecular weight 116.00 g/mol. IUPAC: 5-methyl-3H-1,3,4-oxadiazole-2-thione.
Chemical Property Profile of 5-Methyl-1,3,4-oxadiazole-2-thiol
Property Insights of 5-Methyl-1,3,4-oxadiazole-2-thiol
The XLogP value of 1.04061 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-1,3,4-oxadiazole-2-thiol. With a topological polar surface area (TPSA) of 41.82 Ų, 5-Methyl-1,3,4-oxadiazole-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-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-Methyl-1,3,4-oxadiazole-2-thiol?
The CAS number of 5-Methyl-1,3,4-oxadiazole-2-thiol is 7146-26-1.
What is the molecular formula of 5-Methyl-1,3,4-oxadiazole-2-thiol?
The molecular formula of 5-Methyl-1,3,4-oxadiazole-2-thiol is C3H4N2OS.
What is the molecular weight of 5-Methyl-1,3,4-oxadiazole-2-thiol?
The molecular weight of 5-Methyl-1,3,4-oxadiazole-2-thiol is 116.00 g/mol.
Where can I buy 5-Methyl-1,3,4-oxadiazole-2-thiol?
You can request a quote for 5-Methyl-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-Methyl-1,3,4-oxadiazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-1,3,4-oxadiazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.