![6-chloro-3-[(dimethylamino)methylene]-2,3-dihydro-4H-thiochromen-4-one structure](/static/products/1340/1340492-80-9.webp)
6-chloro-3-[(dimethylamino)methylene]-2,3-dihydro-4H-thiochromen-4-one
TL;DR: 6-chloro-3-[(dimethylamino)methylene]-2,3-dihydro-4H-thiochromen-4-one (CAS 1340492-80-9) is a chemical compound with molecular formula C12H12ClNOS and molecular weight 253.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3Z)-6-chloro-3-(dimethylaminomethylidene)thiochromen-4-one
Also Known As: (3Z)-6-chloro-3-(dimethylaminomethylidene)thiochromen-4-one, 6-chloro-3-[(dimethylamino)methylene]-2,3-dihydro-4H-thiochromen-4-one, 8X-0976, (3Z)-6-chloro-3-[(dimethylamino)methylidene]-3,4-dihydro-2H-1-benzothiopyran-4-one
| Molecular Formula | C12H12ClNOS |
|---|---|
| Molecular Weight | 253.03 g/mol |
| LogP | 3.0739 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 253.0328 |
| Heavy Atoms | 16 |
| Complexity | 468.0866 |
Chemical Identifiers
| CAS Number | 1340492-80-9 |
|---|---|
| SMILES | CN(C)/C=C/1\CSC2=C(C1=O)C=C(C=C2)Cl |
Product Overview
6-chloro-3-[(dimethylamino)methylene]-2,3-dihydro-4H-thiochromen-4-one (CAS 1340492-80-9), with molecular formula C12H12ClNOS and molecular weight 253.03 g/mol. IUPAC: (3Z)-6-chloro-3-(dimethylaminomethylidene)thiochromen-4-one.
Chemical Property Profile of 6-chloro-3-[(dimethylamino)methylene]-2,3-dihydro-4H-thiochromen-4-one
Property Insights of 6-chloro-3-[(dimethylamino)methylene]-2,3-dihydro-4H-thiochromen-4-one
The XLogP value of 3.0739 indicates that 6-chloro-3-[(dimethylamino)methylene]-2,3-dihydro-4H-thiochromen-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, 6-chloro-3-[(dimethylamino)methylene]-2,3-dihydro-4H-thiochromen-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-chloro-3-[(dimethylamino)methylene]-2,3-dihydro-4H-thiochromen-4-one 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-chloro-3-[(dimethylamino)methylene]-2,3-dihydro-4H-thiochromen-4-one?
The CAS number of 6-chloro-3-[(dimethylamino)methylene]-2,3-dihydro-4H-thiochromen-4-one is 1340492-80-9.
What is the molecular formula of 6-chloro-3-[(dimethylamino)methylene]-2,3-dihydro-4H-thiochromen-4-one?
The molecular formula of 6-chloro-3-[(dimethylamino)methylene]-2,3-dihydro-4H-thiochromen-4-one is C12H12ClNOS.
What is the molecular weight of 6-chloro-3-[(dimethylamino)methylene]-2,3-dihydro-4H-thiochromen-4-one?
The molecular weight of 6-chloro-3-[(dimethylamino)methylene]-2,3-dihydro-4H-thiochromen-4-one is 253.03 g/mol.
Where can I buy 6-chloro-3-[(dimethylamino)methylene]-2,3-dihydro-4H-thiochromen-4-one?
You can request a quote for 6-chloro-3-[(dimethylamino)methylene]-2,3-dihydro-4H-thiochromen-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-chloro-3-[(dimethylamino)methylene]-2,3-dihydro-4H-thiochromen-4-one?
Yes, KEHONG BIO provides custom synthesis services for 6-chloro-3-[(dimethylamino)methylene]-2,3-dihydro-4H-thiochromen-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.