4-(Phenylsulfanyl)azetidin-2-one
TL;DR: 4-(Phenylsulfanyl)azetidin-2-one (CAS 90497-62-4) is a chemical compound with molecular formula C9H9NOS and molecular weight 179.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenylsulfanylazetidin-2-one
Also Known As: 4-(PHENYLSULFANYL)AZETIDIN-2-ONE, 4-(Phenylthio)azetidin-2-one, 4-phenylthioazetidin-2-one, 4-phenylsulfanylazetidin-2-one, 4-phenylthio-2-oxoazetidine
| Molecular Formula | C9H9NOS |
|---|---|
| Molecular Weight | 179.04 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 179.04048 |
| Heavy Atoms | 12 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 90497-62-4 |
|---|---|
| SMILES | C1C(NC1=O)SC2=CC=CC=C2 |
| InChIKey | IQVDSMUMVVBIQZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Phenylsulfanyl)azetidin-2-one (CAS 90497-62-4), with molecular formula C9H9NOS and molecular weight 179.04 g/mol. IUPAC: 4-phenylsulfanylazetidin-2-one.
Chemical Property Profile of 4-(Phenylsulfanyl)azetidin-2-one
Property Insights of 4-(Phenylsulfanyl)azetidin-2-one
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Phenylsulfanyl)azetidin-2-one. With a topological polar surface area (TPSA) of 54.4 Ų, 4-(Phenylsulfanyl)azetidin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Phenylsulfanyl)azetidin-2-one has 1 hydrogen bond donor(s) and 2 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 4-(Phenylsulfanyl)azetidin-2-one?
The CAS number of 4-(Phenylsulfanyl)azetidin-2-one is 90497-62-4.
What is the molecular formula of 4-(Phenylsulfanyl)azetidin-2-one?
The molecular formula of 4-(Phenylsulfanyl)azetidin-2-one is C9H9NOS.
What is the molecular weight of 4-(Phenylsulfanyl)azetidin-2-one?
The molecular weight of 4-(Phenylsulfanyl)azetidin-2-one is 179.04 g/mol.
Where can I buy 4-(Phenylsulfanyl)azetidin-2-one?
You can request a quote for 4-(Phenylsulfanyl)azetidin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Phenylsulfanyl)azetidin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(Phenylsulfanyl)azetidin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.