4-Phenyl-1,3-dithiol-2-one
TL;DR: 4-Phenyl-1,3-dithiol-2-one (CAS 939-11-7) is a chemical compound with molecular formula C9H6OS2 and molecular weight 193.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenyl-1,3-dithiol-2-one
Also Known As: 4-phenyl-1,3-dithiol-2-one, 4-phenyl-[1,3]dithiol-2-one, Phenyl-[1,3]dithiol-2-one, 4-phenyl-2-oxo-1,3-dithiole, 4-phenyl-2H-1,3-dithiol-2-one
| Molecular Formula | C9H6OS2 |
|---|---|
| Molecular Weight | 193.99 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 193.98601 |
| Heavy Atoms | 12 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 939-11-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CSC(=O)S2 |
| InChIKey | SROUGKLAXYFLFQ-UHFFFAOYSA-N |
Product Overview
4-Phenyl-1,3-dithiol-2-one (CAS 939-11-7), with molecular formula C9H6OS2 and molecular weight 193.99 g/mol. IUPAC: 4-phenyl-1,3-dithiol-2-one.
Chemical Property Profile of 4-Phenyl-1,3-dithiol-2-one
Property Insights of 4-Phenyl-1,3-dithiol-2-one
The XLogP value of 3.0 indicates that 4-Phenyl-1,3-dithiol-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Phenyl-1,3-dithiol-2-one. Following Lipinski's Rule of Five, 4-Phenyl-1,3-dithiol-2-one 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 4-Phenyl-1,3-dithiol-2-one?
The CAS number of 4-Phenyl-1,3-dithiol-2-one is 939-11-7.
What is the molecular formula of 4-Phenyl-1,3-dithiol-2-one?
The molecular formula of 4-Phenyl-1,3-dithiol-2-one is C9H6OS2.
What is the molecular weight of 4-Phenyl-1,3-dithiol-2-one?
The molecular weight of 4-Phenyl-1,3-dithiol-2-one is 193.99 g/mol.
Where can I buy 4-Phenyl-1,3-dithiol-2-one?
You can request a quote for 4-Phenyl-1,3-dithiol-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-Phenyl-1,3-dithiol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Phenyl-1,3-dithiol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.