6-Chlorothiochroman-4-one
TL;DR: 6-Chlorothiochroman-4-one (CAS 15919-99-0) is a chemical compound with molecular formula C9H7ClOS and molecular weight 197.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-2,3-dihydrothiochromen-4-one
Also Known As: 6-Chlorothiochroman-4-one, 6-Chloro-thiochroman-4-one, Maybridge1_007431, 6-chloro-2,3-dihydrothiochromen-4-one, NCIOpen2_000294
| Molecular Formula | C9H7ClOS |
|---|---|
| Molecular Weight | 197.99 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 197.99062 |
| Heavy Atoms | 12 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 15919-99-0 |
|---|---|
| SMILES | C1CSC2=C(C1=O)C=C(C=C2)Cl |
| InChIKey | OKHUUKHZUNKSQA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Chlorothiochroman-4-one (CAS 15919-99-0), with molecular formula C9H7ClOS and molecular weight 197.99 g/mol. IUPAC: 6-chloro-2,3-dihydrothiochromen-4-one.
Chemical Property Profile of 6-Chlorothiochroman-4-one
Property Insights of 6-Chlorothiochroman-4-one
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Chlorothiochroman-4-one. With a topological polar surface area (TPSA) of 42.4 Ų, 6-Chlorothiochroman-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Chlorothiochroman-4-one has 0 hydrogen bond donor(s) and 2 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?
The CAS number of 6-Chlorothiochroman-4-one is 15919-99-0.
What is the molecular formula of 6-Chlorothiochroman-4-one?
The molecular formula of 6-Chlorothiochroman-4-one is C9H7ClOS.
What is the molecular weight of 6-Chlorothiochroman-4-one?
The molecular weight of 6-Chlorothiochroman-4-one is 197.99 g/mol.
Where can I buy 6-Chlorothiochroman-4-one?
You can request a quote for 6-Chlorothiochroman-4-one 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?
Yes, KEHONG BIO provides custom synthesis services for 6-Chlorothiochroman-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.