3,4-dihydro-2H-1lambda6-benzothiopyran-1,1,4-trione
TL;DR: 3,4-dihydro-2H-1lambda6-benzothiopyran-1,1,4-trione (CAS 19446-96-9) 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.
1,1-dioxo-2,3-dihydrothiochromen-4-one
Also Known As: Thiochromanone 1,1-dioxide, 1,1-Dioxo-1lambda*6*-thiochroman-4-one, Thiochroman-4-one 1,1-dioxide, 1,1-dioxo-2,3-dihydrothiochromen-4-one, Thiochroman-4-one,1-dioxide
| Molecular Formula | C9H8O3S |
|---|---|
| Molecular Weight | 196.02 g/mol |
| LogP | 0.6 |
| 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 | 19446-96-9 |
|---|---|
| SMILES | C1CS(=O)(=O)C2=CC=CC=C2C1=O |
| InChIKey | NNJAUTBXMFSABH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-dihydro-2H-1lambda6-benzothiopyran-1,1,4-trione (CAS 19446-96-9), with molecular formula C9H8O3S and molecular weight 196.02 g/mol. IUPAC: 1,1-dioxo-2,3-dihydrothiochromen-4-one.
Chemical Property Profile of 3,4-dihydro-2H-1lambda6-benzothiopyran-1,1,4-trione
Property Insights of 3,4-dihydro-2H-1lambda6-benzothiopyran-1,1,4-trione
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-dihydro-2H-1lambda6-benzothiopyran-1,1,4-trione. With a topological polar surface area (TPSA) of 59.6 Ų, 3,4-dihydro-2H-1lambda6-benzothiopyran-1,1,4-trione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-dihydro-2H-1lambda6-benzothiopyran-1,1,4-trione 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 3,4-dihydro-2H-1lambda6-benzothiopyran-1,1,4-trione?
The CAS number of 3,4-dihydro-2H-1lambda6-benzothiopyran-1,1,4-trione is 19446-96-9.
What is the molecular formula of 3,4-dihydro-2H-1lambda6-benzothiopyran-1,1,4-trione?
The molecular formula of 3,4-dihydro-2H-1lambda6-benzothiopyran-1,1,4-trione is C9H8O3S.
What is the molecular weight of 3,4-dihydro-2H-1lambda6-benzothiopyran-1,1,4-trione?
The molecular weight of 3,4-dihydro-2H-1lambda6-benzothiopyran-1,1,4-trione is 196.02 g/mol.
Where can I buy 3,4-dihydro-2H-1lambda6-benzothiopyran-1,1,4-trione?
You can request a quote for 3,4-dihydro-2H-1lambda6-benzothiopyran-1,1,4-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-dihydro-2H-1lambda6-benzothiopyran-1,1,4-trione?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dihydro-2H-1lambda6-benzothiopyran-1,1,4-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.