6-Chlorothiochroman-4-one 1,1-dioxide
TL;DR: 6-Chlorothiochroman-4-one 1,1-dioxide (CAS 90396-06-8) is a chemical compound with molecular formula C9H7ClO3S and molecular weight 229.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-1,1-dioxo-2,3-dihydrothiochromen-4-one
Also Known As: 6-Chlorothiochroman-4-one 1,1-dioxide, Maybridge1_007519, 6-chloro-1,1-dioxo-2,3-dihydrothiochromen-4-one, 6-Chloro-1-Benzothiopyran-4-One 1,1-Dioxide, 6-chloro-1,1-dioxothiochroman-4-one
| Molecular Formula | C9H7ClO3S |
|---|---|
| Molecular Weight | 229.98 g/mol |
| LogP | 1.7001 |
| Topological Polar Surface Area | 51.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 229.98044 |
| Heavy Atoms | 14 |
| Complexity | 504.7884 |
Chemical Identifiers
| CAS Number | 90396-06-8 |
|---|---|
| SMILES | C1CS(=O)(=O)C2=C(C1=O)C=C(C=C2)Cl |
Product Overview
6-Chlorothiochroman-4-one 1,1-dioxide (CAS 90396-06-8), with molecular formula C9H7ClO3S and molecular weight 229.98 g/mol. IUPAC: 6-chloro-1,1-dioxo-2,3-dihydrothiochromen-4-one.
Chemical Property Profile of 6-Chlorothiochroman-4-one 1,1-dioxide
Property Insights of 6-Chlorothiochroman-4-one 1,1-dioxide
The XLogP value of 1.7001 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Chlorothiochroman-4-one 1,1-dioxide. With a topological polar surface area (TPSA) of 51.21 Ų, 6-Chlorothiochroman-4-one 1,1-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Chlorothiochroman-4-one 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 6-Chlorothiochroman-4-one 1,1-dioxide?
The CAS number of 6-Chlorothiochroman-4-one 1,1-dioxide is 90396-06-8.
What is the molecular formula of 6-Chlorothiochroman-4-one 1,1-dioxide?
The molecular formula of 6-Chlorothiochroman-4-one 1,1-dioxide is C9H7ClO3S.
What is the molecular weight of 6-Chlorothiochroman-4-one 1,1-dioxide?
The molecular weight of 6-Chlorothiochroman-4-one 1,1-dioxide is 229.98 g/mol.
Where can I buy 6-Chlorothiochroman-4-one 1,1-dioxide?
You can request a quote for 6-Chlorothiochroman-4-one 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 6-Chlorothiochroman-4-one 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 6-Chlorothiochroman-4-one 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.