6-cyano-2,2-dimethyl-N-methyl-2H-1-benzopyran-4-thiocarboxamide
TL;DR: 6-cyano-2,2-dimethyl-N-methyl-2H-1-benzopyran-4-thiocarboxamide (CAS 134122-04-6) is a chemical compound with molecular formula C14H14N2OS and molecular weight 258.08267 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-isocyano-N,2,2-trimethylchromene-4-carbothioamide
Also Known As: 6-Cdbtc, 6-isocyano-N,2,2-trimethylchromene-4-carbothioamide, 6-Cyano-2,2-dimethyl-N-methyl-2H-1-benzopyran-4-thiocarboxamide, 6-Cyano-N,2,2-trimethylchromene-4-carbothioamide, 2H-1-Benzopyran-4-carbothioamide, 6-cyano-N,2,2-trimethyl-
Technical Specifications
| Molecular Formula | C14H14N2OS |
| Molecular Weight | 258.08267 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 57.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 258.08267 Da |
| Heavy Atoms | 18 |
| Complexity | 432.0 |
| SMILES | CC1(C=C(C2=C(O1)C=CC(=C2)[N+]#[C-])C(=S)NC)C |
| InChIKey | LZPFYNDSDYEQPZ-UHFFFAOYSA-N |
Chemical Property Profile of 6-cyano-2,2-dimethyl-N-methyl-2H-1-benzopyran-4-thiocarboxamide
Property Insights of 6-cyano-2,2-dimethyl-N-methyl-2H-1-benzopyran-4-thiocarboxamide
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-cyano-2,2-dimethyl-N-methyl-2H-1-benzopyran-4-thiocarboxamide. With a topological polar surface area (TPSA) of 57.7 Ų, 6-cyano-2,2-dimethyl-N-methyl-2H-1-benzopyran-4-thiocarboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-cyano-2,2-dimethyl-N-methyl-2H-1-benzopyran-4-thiocarboxamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 6-cyano-2,2-dimethyl-N-methyl-2H-1-benzopyran-4-thiocarboxamide?
The CAS number of 6-cyano-2,2-dimethyl-N-methyl-2H-1-benzopyran-4-thiocarboxamide is 134122-04-6.
What is the molecular formula of 6-cyano-2,2-dimethyl-N-methyl-2H-1-benzopyran-4-thiocarboxamide?
The molecular formula of 6-cyano-2,2-dimethyl-N-methyl-2H-1-benzopyran-4-thiocarboxamide is C14H14N2OS.
What is the molecular weight of 6-cyano-2,2-dimethyl-N-methyl-2H-1-benzopyran-4-thiocarboxamide?
The molecular weight of 6-cyano-2,2-dimethyl-N-methyl-2H-1-benzopyran-4-thiocarboxamide is 258.08267 g/mol.
Where can I buy 6-cyano-2,2-dimethyl-N-methyl-2H-1-benzopyran-4-thiocarboxamide?
You can request a quote for 6-cyano-2,2-dimethyl-N-methyl-2H-1-benzopyran-4-thiocarboxamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-cyano-2,2-dimethyl-N-methyl-2H-1-benzopyran-4-thiocarboxamide?
Yes, CoreyChem provides custom synthesis services for 6-cyano-2,2-dimethyl-N-methyl-2H-1-benzopyran-4-thiocarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.