Isothiochroman-4-one, 2,2-dioxide
TL;DR: Isothiochroman-4-one, 2,2-dioxide (CAS 16723-58-3) is a chemical compound with molecular formula C9H8O3S and molecular weight 196.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dioxo-1H-isothiochromen-4-one
Also Known As: Isothiochroman-4-one 2,2-dioxide, 2,2-dioxo-1H-isothiochromen-4-one, starbld0011147, Isothiochroman-4-one, 2,2-dioxide, Isothiochromanone 2,2-dioxide
| Molecular Formula | C9H8O3S |
|---|---|
| Molecular Weight | 196.02 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 59.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 196.01941 |
| Heavy Atoms | 13 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 16723-58-3 |
|---|---|
| SMILES | C1C2=CC=CC=C2C(=O)CS1(=O)=O |
| InChIKey | WZCXMBLDKALJTK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isothiochroman-4-one, 2,2-dioxide (CAS 16723-58-3), with molecular formula C9H8O3S and molecular weight 196.02 g/mol. IUPAC: 2,2-dioxo-1H-isothiochromen-4-one.
Chemical Property Profile of Isothiochroman-4-one, 2,2-dioxide
Property Insights of Isothiochroman-4-one, 2,2-dioxide
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isothiochroman-4-one, 2,2-dioxide. With a topological polar surface area (TPSA) of 59.6 Ų, Isothiochroman-4-one, 2,2-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isothiochroman-4-one, 2,2-dioxide 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 Isothiochroman-4-one, 2,2-dioxide?
The CAS number of Isothiochroman-4-one, 2,2-dioxide is 16723-58-3.
What is the molecular formula of Isothiochroman-4-one, 2,2-dioxide?
The molecular formula of Isothiochroman-4-one, 2,2-dioxide is C9H8O3S.
What is the molecular weight of Isothiochroman-4-one, 2,2-dioxide?
The molecular weight of Isothiochroman-4-one, 2,2-dioxide is 196.02 g/mol.
Where can I buy Isothiochroman-4-one, 2,2-dioxide?
You can request a quote for Isothiochroman-4-one, 2,2-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isothiochroman-4-one, 2,2-dioxide?
Yes, KEHONG BIO provides custom synthesis services for Isothiochroman-4-one, 2,2-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.