1,2,5-Oxadiazole, 3-methyl-4-(phenylthio)-, 5-oxide
TL;DR: 1,2,5-Oxadiazole, 3-methyl-4-(phenylthio)-, 5-oxide (CAS 20052-58-8) is a chemical compound with molecular formula C9H8N2O2S and molecular weight 208.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-2-oxido-3-phenylsulfanyl-1,2,5-oxadiazol-2-ium
Also Known As: 4-methyl-3-phenylthiofuroxan, 4-methyl-3-thiophenylfuroxan, 1,2,5-Oxadiazole, 3-methyl-4-(phenylthio)-, 5-oxide, 3-Methyl-4-phenylthio-1,2,5-oxadiazole 5-oxide, 4-Methyl-3-phenylthio-1,2,5-oxadiazole 2-oxide
| Molecular Formula | C9H8N2O2S |
|---|---|
| Molecular Weight | 208.03 g/mol |
| LogP | 1.76762 |
| Topological Polar Surface Area | 52.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.03065 |
| Heavy Atoms | 14 |
| Complexity | 408.13193 |
Chemical Identifiers
| CAS Number | 20052-58-8 |
|---|---|
| SMILES | CC1=NO[N+](=C1SC2=CC=CC=C2)[O-] |
Product Overview
1,2,5-Oxadiazole, 3-methyl-4-(phenylthio)-, 5-oxide (CAS 20052-58-8), with molecular formula C9H8N2O2S and molecular weight 208.03 g/mol. IUPAC: 4-methyl-2-oxido-3-phenylsulfanyl-1,2,5-oxadiazol-2-ium.
Chemical Property Profile of 1,2,5-Oxadiazole, 3-methyl-4-(phenylthio)-, 5-oxide
Property Insights of 1,2,5-Oxadiazole, 3-methyl-4-(phenylthio)-, 5-oxide
The XLogP value of 1.76762 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,5-Oxadiazole, 3-methyl-4-(phenylthio)-, 5-oxide. With a topological polar surface area (TPSA) of 52.97 Ų, 1,2,5-Oxadiazole, 3-methyl-4-(phenylthio)-, 5-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,5-Oxadiazole, 3-methyl-4-(phenylthio)-, 5-oxide 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 1,2,5-Oxadiazole, 3-methyl-4-(phenylthio)-, 5-oxide?
The CAS number of 1,2,5-Oxadiazole, 3-methyl-4-(phenylthio)-, 5-oxide is 20052-58-8.
What is the molecular formula of 1,2,5-Oxadiazole, 3-methyl-4-(phenylthio)-, 5-oxide?
The molecular formula of 1,2,5-Oxadiazole, 3-methyl-4-(phenylthio)-, 5-oxide is C9H8N2O2S.
What is the molecular weight of 1,2,5-Oxadiazole, 3-methyl-4-(phenylthio)-, 5-oxide?
The molecular weight of 1,2,5-Oxadiazole, 3-methyl-4-(phenylthio)-, 5-oxide is 208.03 g/mol.
Where can I buy 1,2,5-Oxadiazole, 3-methyl-4-(phenylthio)-, 5-oxide?
You can request a quote for 1,2,5-Oxadiazole, 3-methyl-4-(phenylthio)-, 5-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,5-Oxadiazole, 3-methyl-4-(phenylthio)-, 5-oxide?
Yes, KEHONG BIO provides custom synthesis services for 1,2,5-Oxadiazole, 3-methyl-4-(phenylthio)-, 5-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.