N-(3,3-Dimethyl-5-oxo-1,2-dithiolan-4-yl)benzenecarboximidic acid
TL;DR: N-(3,3-Dimethyl-5-oxo-1,2-dithiolan-4-yl)benzenecarboximidic acid (CAS 109795-70-2) is a chemical compound with molecular formula C12H13NO2S2 and molecular weight 267.03876 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(3,3-dimethyl-5-oxodithiolan-4-yl)benzamide
Also Known As: 4-Benzoylamino-5,5-dimethyl-1,2-dithiolan-3-one, N-(3,3-Dimethyl-5-oxo-1,2-dithiolan-4-yl)benzamide, N-(3,3-dimethyl-5-oxodithiolan-4-yl)benzamide, 4-19-00-04285 (Beilstein Handbook Reference), BIM-0005206.P001
Technical Specifications
| Molecular Formula | C12H13NO2S2 |
| Molecular Weight | 267.03876 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 96.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.03876 Da |
| Heavy Atoms | 17 |
| Complexity | 324.0 |
| SMILES | CC1(C(C(=O)SS1)NC(=O)C2=CC=CC=C2)C |
| InChIKey | SYXLDBBQAZHBJL-UHFFFAOYSA-N |
Chemical Property Profile of N-(3,3-Dimethyl-5-oxo-1,2-dithiolan-4-yl)benzenecarboximidic acid
Property Insights of N-(3,3-Dimethyl-5-oxo-1,2-dithiolan-4-yl)benzenecarboximidic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3,3-Dimethyl-5-oxo-1,2-dithiolan-4-yl)benzenecarboximidic acid. The TPSA of 96.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3,3-Dimethyl-5-oxo-1,2-dithiolan-4-yl)benzenecarboximidic acid. Following Lipinski's Rule of Five, N-(3,3-Dimethyl-5-oxo-1,2-dithiolan-4-yl)benzenecarboximidic acid has 1 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 N-(3,3-Dimethyl-5-oxo-1,2-dithiolan-4-yl)benzenecarboximidic acid?
The CAS number of N-(3,3-Dimethyl-5-oxo-1,2-dithiolan-4-yl)benzenecarboximidic acid is 109795-70-2.
What is the molecular formula of N-(3,3-Dimethyl-5-oxo-1,2-dithiolan-4-yl)benzenecarboximidic acid?
The molecular formula of N-(3,3-Dimethyl-5-oxo-1,2-dithiolan-4-yl)benzenecarboximidic acid is C12H13NO2S2.
What is the molecular weight of N-(3,3-Dimethyl-5-oxo-1,2-dithiolan-4-yl)benzenecarboximidic acid?
The molecular weight of N-(3,3-Dimethyl-5-oxo-1,2-dithiolan-4-yl)benzenecarboximidic acid is 267.03876 g/mol.
Where can I buy N-(3,3-Dimethyl-5-oxo-1,2-dithiolan-4-yl)benzenecarboximidic acid?
You can request a quote for N-(3,3-Dimethyl-5-oxo-1,2-dithiolan-4-yl)benzenecarboximidic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(3,3-Dimethyl-5-oxo-1,2-dithiolan-4-yl)benzenecarboximidic acid?
Yes, CoreyChem provides custom synthesis services for N-(3,3-Dimethyl-5-oxo-1,2-dithiolan-4-yl)benzenecarboximidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.