Thiochroman-4-one, 8-methyl-, 1,1-dioxide
TL;DR: Thiochroman-4-one, 8-methyl-, 1,1-dioxide (CAS 16723-54-9) is a chemical compound with molecular formula C10H10O3S and molecular weight 210.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one
Also Known As: Thiochroman-4-one, 8-methyl-, 1,1-dioxide, 8-methylthiochroman-4-one 1,1-dioxide, 8-methylthiochroman-4-one-1,1-dioxide, 8-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one, AO-800/41069640
| Molecular Formula | C10H10O3S |
|---|---|
| Molecular Weight | 210.04 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 59.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 210.03506 |
| Heavy Atoms | 14 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 16723-54-9 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)C(=O)CCS2(=O)=O |
| InChIKey | ICENNGTVIUFMJQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thiochroman-4-one, 8-methyl-, 1,1-dioxide (CAS 16723-54-9), with molecular formula C10H10O3S and molecular weight 210.04 g/mol. IUPAC: 8-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one.
Chemical Property Profile of Thiochroman-4-one, 8-methyl-, 1,1-dioxide
Property Insights of Thiochroman-4-one, 8-methyl-, 1,1-dioxide
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiochroman-4-one, 8-methyl-, 1,1-dioxide. With a topological polar surface area (TPSA) of 59.6 Ų, Thiochroman-4-one, 8-methyl-, 1,1-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiochroman-4-one, 8-methyl-, 1,1-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 Thiochroman-4-one, 8-methyl-, 1,1-dioxide?
The CAS number of Thiochroman-4-one, 8-methyl-, 1,1-dioxide is 16723-54-9.
What is the molecular formula of Thiochroman-4-one, 8-methyl-, 1,1-dioxide?
The molecular formula of Thiochroman-4-one, 8-methyl-, 1,1-dioxide is C10H10O3S.
What is the molecular weight of Thiochroman-4-one, 8-methyl-, 1,1-dioxide?
The molecular weight of Thiochroman-4-one, 8-methyl-, 1,1-dioxide is 210.04 g/mol.
Where can I buy Thiochroman-4-one, 8-methyl-, 1,1-dioxide?
You can request a quote for Thiochroman-4-one, 8-methyl-, 1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiochroman-4-one, 8-methyl-, 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for Thiochroman-4-one, 8-methyl-, 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.