![2-Prop-2-ynylsulfanyl-5-p-tolyl-[1,3,4]oxadiazole structure](/static/products/4614/461436-44-2.webp)
2-Prop-2-ynylsulfanyl-5-p-tolyl-[1,3,4]oxadiazole
TL;DR: 2-Prop-2-ynylsulfanyl-5-p-tolyl-[1,3,4]oxadiazole (CAS 461436-44-2) is a chemical compound with molecular formula C12H10N2OS and molecular weight 230.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylphenyl)-5-prop-2-ynylsulfanyl-1,3,4-oxadiazole
Also Known As: 2-Prop-2-ynylsulfanyl-5-p-tolyl-[1,3,4]oxadiazole, BAS 04456475, 2-(4-methylphenyl)-5-prop-2-ynylsulfanyl-1,3,4-oxadiazole, AP-853/41269939, 5-(4-methylphenyl)-2-prop-2-ynylthio-1,3,4-oxadiazole
| Molecular Formula | C12H10N2OS |
|---|---|
| Molecular Weight | 230.05 g/mol |
| LogP | 2.77032 |
| Topological Polar Surface Area | 38.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 230.05139 |
| Heavy Atoms | 16 |
| Complexity | 510.56018 |
Chemical Identifiers
| CAS Number | 461436-44-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN=C(O2)SCC#C |
Product Overview
2-Prop-2-ynylsulfanyl-5-p-tolyl-[1,3,4]oxadiazole (CAS 461436-44-2), with molecular formula C12H10N2OS and molecular weight 230.05 g/mol. IUPAC: 2-(4-methylphenyl)-5-prop-2-ynylsulfanyl-1,3,4-oxadiazole.
Chemical Property Profile of 2-Prop-2-ynylsulfanyl-5-p-tolyl-[1,3,4]oxadiazole
Property Insights of 2-Prop-2-ynylsulfanyl-5-p-tolyl-[1,3,4]oxadiazole
The XLogP value of 2.77032 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Prop-2-ynylsulfanyl-5-p-tolyl-[1,3,4]oxadiazole. With a topological polar surface area (TPSA) of 38.92 Ų, 2-Prop-2-ynylsulfanyl-5-p-tolyl-[1,3,4]oxadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Prop-2-ynylsulfanyl-5-p-tolyl-[1,3,4]oxadiazole has 0 hydrogen bond donor(s) and 4 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 2-Prop-2-ynylsulfanyl-5-p-tolyl-[1,3,4]oxadiazole?
The CAS number of 2-Prop-2-ynylsulfanyl-5-p-tolyl-[1,3,4]oxadiazole is 461436-44-2.
What is the molecular formula of 2-Prop-2-ynylsulfanyl-5-p-tolyl-[1,3,4]oxadiazole?
The molecular formula of 2-Prop-2-ynylsulfanyl-5-p-tolyl-[1,3,4]oxadiazole is C12H10N2OS.
What is the molecular weight of 2-Prop-2-ynylsulfanyl-5-p-tolyl-[1,3,4]oxadiazole?
The molecular weight of 2-Prop-2-ynylsulfanyl-5-p-tolyl-[1,3,4]oxadiazole is 230.05 g/mol.
Where can I buy 2-Prop-2-ynylsulfanyl-5-p-tolyl-[1,3,4]oxadiazole?
You can request a quote for 2-Prop-2-ynylsulfanyl-5-p-tolyl-[1,3,4]oxadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Prop-2-ynylsulfanyl-5-p-tolyl-[1,3,4]oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Prop-2-ynylsulfanyl-5-p-tolyl-[1,3,4]oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.