![5,5-dimethyl-2-(3-methylbenzo[d]thiazol-2(3H)-ylidene)cyclohexane-1,3-dione structure](/static/products/1462/146229-04-1.webp)
5,5-dimethyl-2-(3-methylbenzo[d]thiazol-2(3H)-ylidene)cyclohexane-1,3-dione
TL;DR: 5,5-dimethyl-2-(3-methylbenzo[d]thiazol-2(3H)-ylidene)cyclohexane-1,3-dione (CAS 146229-04-1) is a chemical compound with molecular formula C16H17NO2S and molecular weight 287.098 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5,5-dimethyl-2-(3-methyl-1,3-benzothiazol-2-ylidene)cyclohexane-1,3-dione
Also Known As: BAS 00533388, 5,5-dimethyl-2-(3-methylbenzo[d]thiazol-2(3H)-ylidene)cyclohexane-1,3-dione, F0163-0013, 5,5-dimethyl-2-(3-methyl-1,3-benzothiazol-2-ylidene)cyclohexane-1,3-dione, 5,5-Dimethyl-2-(3-methyl-3H-benzothiazol-2-ylidene)-cyclohexane-1,3-dione
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C16H17NO2S |
| Molecular Weight | 287.098 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 62.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 287.098 Da |
| Heavy Atoms | 20 |
| Complexity | 473.0 |
| SMILES | CC1(CC(=O)C(=C2N(C3=CC=CC=C3S2)C)C(=O)C1)C |
| InChIKey | HTOHPMMIJSMGHU-UHFFFAOYSA-N |
Chemical Property Profile of 5,5-dimethyl-2-(3-methylbenzo[d]thiazol-2(3H)-ylidene)cyclohexane-1,3-dione
Property Insights of 5,5-dimethyl-2-(3-methylbenzo[d]thiazol-2(3H)-ylidene)cyclohexane-1,3-dione
The XLogP value of 3.1 indicates that 5,5-dimethyl-2-(3-methylbenzo[d]thiazol-2(3H)-ylidene)cyclohexane-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,5-dimethyl-2-(3-methylbenzo[d]thiazol-2(3H)-ylidene)cyclohexane-1,3-dione. Following Lipinski's Rule of Five, 5,5-dimethyl-2-(3-methylbenzo[d]thiazol-2(3H)-ylidene)cyclohexane-1,3-dione has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5,5-dimethyl-2-(3-methylbenzo[d]thiazol-2(3H)-ylidene)cyclohexane-1,3-dione?
The CAS number of 5,5-dimethyl-2-(3-methylbenzo[d]thiazol-2(3H)-ylidene)cyclohexane-1,3-dione is 146229-04-1.
What is the molecular formula of 5,5-dimethyl-2-(3-methylbenzo[d]thiazol-2(3H)-ylidene)cyclohexane-1,3-dione?
The molecular formula of 5,5-dimethyl-2-(3-methylbenzo[d]thiazol-2(3H)-ylidene)cyclohexane-1,3-dione is C16H17NO2S.
What is the molecular weight of 5,5-dimethyl-2-(3-methylbenzo[d]thiazol-2(3H)-ylidene)cyclohexane-1,3-dione?
The molecular weight of 5,5-dimethyl-2-(3-methylbenzo[d]thiazol-2(3H)-ylidene)cyclohexane-1,3-dione is 287.098 g/mol.
Where can I buy 5,5-dimethyl-2-(3-methylbenzo[d]thiazol-2(3H)-ylidene)cyclohexane-1,3-dione?
You can request a quote for 5,5-dimethyl-2-(3-methylbenzo[d]thiazol-2(3H)-ylidene)cyclohexane-1,3-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5,5-dimethyl-2-(3-methylbenzo[d]thiazol-2(3H)-ylidene)cyclohexane-1,3-dione?
Yes, CoreyChem provides custom synthesis services for 5,5-dimethyl-2-(3-methylbenzo[d]thiazol-2(3H)-ylidene)cyclohexane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.