3-(Phenylthio)-2(5H)-furanone
TL;DR: 3-(Phenylthio)-2(5H)-furanone (CAS 42435-82-5) is a chemical compound with molecular formula C10H8O2S and molecular weight 192.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenylsulfanyl-2H-furan-5-one
Also Known As: 3-(Phenylthio)-2(5H)-furanone, 4-phenylsulfanyl-2H-furan-5-one, 3-(phenylthio)-5H-furan-2-one, 3-(Phenylthio)furan-2(5H)-one, 3-phenylsulfanyl-5H-furan-2-one
| Molecular Formula | C10H8O2S |
|---|---|
| Molecular Weight | 192.02 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 192.0245 |
| Heavy Atoms | 13 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 42435-82-5 |
|---|---|
| SMILES | C1C=C(C(=O)O1)SC2=CC=CC=C2 |
| InChIKey | NYSGNNULGPBKOK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Phenylthio)-2(5H)-furanone (CAS 42435-82-5), with molecular formula C10H8O2S and molecular weight 192.02 g/mol. IUPAC: 4-phenylsulfanyl-2H-furan-5-one.
Chemical Property Profile of 3-(Phenylthio)-2(5H)-furanone
Property Insights of 3-(Phenylthio)-2(5H)-furanone
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Phenylthio)-2(5H)-furanone. With a topological polar surface area (TPSA) of 51.6 Ų, 3-(Phenylthio)-2(5H)-furanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Phenylthio)-2(5H)-furanone has 0 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 3-(Phenylthio)-2(5H)-furanone?
The CAS number of 3-(Phenylthio)-2(5H)-furanone is 42435-82-5.
What is the molecular formula of 3-(Phenylthio)-2(5H)-furanone?
The molecular formula of 3-(Phenylthio)-2(5H)-furanone is C10H8O2S.
What is the molecular weight of 3-(Phenylthio)-2(5H)-furanone?
The molecular weight of 3-(Phenylthio)-2(5H)-furanone is 192.02 g/mol.
Where can I buy 3-(Phenylthio)-2(5H)-furanone?
You can request a quote for 3-(Phenylthio)-2(5H)-furanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Phenylthio)-2(5H)-furanone?
Yes, KEHONG BIO provides custom synthesis services for 3-(Phenylthio)-2(5H)-furanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.