![2-Benzylsulfanyl-5-(S)-pyrrolidin-2-yl-[1,3,4]oxadiazole structure](/static/products/104/1049733-19-8.webp)
2-Benzylsulfanyl-5-(S)-pyrrolidin-2-yl-[1,3,4]oxadiazole
TL;DR: 2-Benzylsulfanyl-5-(S)-pyrrolidin-2-yl-[1,3,4]oxadiazole (CAS 1049733-19-8) is a chemical compound with molecular formula C13H16ClN3OS and molecular weight 297.07025 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-benzylsulfanyl-5-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazole;hydrochloride
Also Known As: 2-Benzylsulfanyl-5-(S)-pyrrolidin-2-yl-[1,3,4]oxadiazole, (S)-2-(benzylthio)-5-(pyrrolidin-2-yl)-1,3,4-oxadiazole hydrochloride, 2-((2S)pyrrolidin-2-yl)-5-(phenylmethylthio)-1,3,4-oxadiazole, chloride, 2-benzylsulfanyl-5-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazole;hydrochloride, 2-(benzylsulfanyl)-5-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazole hydrochloride
Technical Specifications
| Molecular Formula | C13H16ClN3OS |
| Molecular Weight | 297.07025 g/mol |
| XLogP | 3.2082 |
| Topological Polar Surface Area (TPSA) | 76.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 297.07025 Da |
| Heavy Atoms | 19 |
| Complexity | 261.0 |
| SMILES | C1C[C@H](NC1)C2=NN=C(O2)SCC3=CC=CC=C3.Cl |
| InChIKey | KDHAGHNEALDLEN-MERQFXBCSA-N |
Chemical Property Profile of 2-Benzylsulfanyl-5-(S)-pyrrolidin-2-yl-[1,3,4]oxadiazole
Property Insights of 2-Benzylsulfanyl-5-(S)-pyrrolidin-2-yl-[1,3,4]oxadiazole
The XLogP value of 3.2082 indicates that 2-Benzylsulfanyl-5-(S)-pyrrolidin-2-yl-[1,3,4]oxadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Benzylsulfanyl-5-(S)-pyrrolidin-2-yl-[1,3,4]oxadiazole. Following Lipinski's Rule of Five, 2-Benzylsulfanyl-5-(S)-pyrrolidin-2-yl-[1,3,4]oxadiazole has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Benzylsulfanyl-5-(S)-pyrrolidin-2-yl-[1,3,4]oxadiazole?
The CAS number of 2-Benzylsulfanyl-5-(S)-pyrrolidin-2-yl-[1,3,4]oxadiazole is 1049733-19-8.
What is the molecular formula of 2-Benzylsulfanyl-5-(S)-pyrrolidin-2-yl-[1,3,4]oxadiazole?
The molecular formula of 2-Benzylsulfanyl-5-(S)-pyrrolidin-2-yl-[1,3,4]oxadiazole is C13H16ClN3OS.
What is the molecular weight of 2-Benzylsulfanyl-5-(S)-pyrrolidin-2-yl-[1,3,4]oxadiazole?
The molecular weight of 2-Benzylsulfanyl-5-(S)-pyrrolidin-2-yl-[1,3,4]oxadiazole is 297.07025 g/mol.
Where can I buy 2-Benzylsulfanyl-5-(S)-pyrrolidin-2-yl-[1,3,4]oxadiazole?
You can request a quote for 2-Benzylsulfanyl-5-(S)-pyrrolidin-2-yl-[1,3,4]oxadiazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Benzylsulfanyl-5-(S)-pyrrolidin-2-yl-[1,3,4]oxadiazole?
Yes, CoreyChem provides custom synthesis services for 2-Benzylsulfanyl-5-(S)-pyrrolidin-2-yl-[1,3,4]oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.