4-(4-(Hydroxy(oxido)amino)phenyl)-1,3-dithiol-2-one
TL;DR: 4-(4-(Hydroxy(oxido)amino)phenyl)-1,3-dithiol-2-one (CAS 49675-85-6) is a chemical compound with molecular formula C9H5NO3S2 and molecular weight 238.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-nitrophenyl)-1,3-dithiol-2-one
Also Known As: 4-(4-nitrophenyl)-1,3-dithiol-2-one, 4-(4-(Hydroxy(oxido)amino)phenyl)-1,3-dithiol-2-one, 3-methyl-5-phenyl-1,2-oxathiolane 2-oxide, 4-(4-Nitrophenyl)-2H-1,3-dithiol-2-one, 1,3-DITHIOL-2-ONE, 4-(4-NITROPHENYL)-
| Molecular Formula | C9H5NO3S2 |
|---|---|
| Molecular Weight | 238.97 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 238.97108 |
| Heavy Atoms | 15 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 49675-85-6 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CSC(=O)S2)[N+](=O)[O-] |
| InChIKey | KGMIAMWJADHAOQ-UHFFFAOYSA-N |
Product Overview
4-(4-(Hydroxy(oxido)amino)phenyl)-1,3-dithiol-2-one (CAS 49675-85-6), with molecular formula C9H5NO3S2 and molecular weight 238.97 g/mol. IUPAC: 4-(4-nitrophenyl)-1,3-dithiol-2-one.
Chemical Property Profile of 4-(4-(Hydroxy(oxido)amino)phenyl)-1,3-dithiol-2-one
Property Insights of 4-(4-(Hydroxy(oxido)amino)phenyl)-1,3-dithiol-2-one
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-(Hydroxy(oxido)amino)phenyl)-1,3-dithiol-2-one. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-(Hydroxy(oxido)amino)phenyl)-1,3-dithiol-2-one. Following Lipinski's Rule of Five, 4-(4-(Hydroxy(oxido)amino)phenyl)-1,3-dithiol-2-one has 0 hydrogen bond donor(s) and 5 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-(4-(Hydroxy(oxido)amino)phenyl)-1,3-dithiol-2-one?
The CAS number of 4-(4-(Hydroxy(oxido)amino)phenyl)-1,3-dithiol-2-one is 49675-85-6.
What is the molecular formula of 4-(4-(Hydroxy(oxido)amino)phenyl)-1,3-dithiol-2-one?
The molecular formula of 4-(4-(Hydroxy(oxido)amino)phenyl)-1,3-dithiol-2-one is C9H5NO3S2.
What is the molecular weight of 4-(4-(Hydroxy(oxido)amino)phenyl)-1,3-dithiol-2-one?
The molecular weight of 4-(4-(Hydroxy(oxido)amino)phenyl)-1,3-dithiol-2-one is 238.97 g/mol.
Where can I buy 4-(4-(Hydroxy(oxido)amino)phenyl)-1,3-dithiol-2-one?
You can request a quote for 4-(4-(Hydroxy(oxido)amino)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-(4-(Hydroxy(oxido)amino)phenyl)-1,3-dithiol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-(Hydroxy(oxido)amino)phenyl)-1,3-dithiol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.