N-(2,6-Xylyl)cyanothioformamide
TL;DR: N-(2,6-Xylyl)cyanothioformamide (CAS 115717-31-2) is a chemical compound with molecular formula C10H10N2S and molecular weight 190.05647 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-cyano-N-(2,6-dimethylphenyl)methanethioamide
Also Known As: N-(2,6-XYLYL)CYANOTHIOFORMAMIDE, 1-cyano-N-(2,6-dimethylphenyl)methanethioamide, 668-662-9
Technical Specifications
| Molecular Formula | C10H10N2S |
| Molecular Weight | 190.05647 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 67.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 190.05647 Da |
| Heavy Atoms | 13 |
| Complexity | 231.0 |
| SMILES | CC1=C(C(=CC=C1)C)NC(=S)C#N |
| InChIKey | FVIWBDPRBBNAJR-UHFFFAOYSA-N |
Chemical Property Profile of N-(2,6-Xylyl)cyanothioformamide
Property Insights of N-(2,6-Xylyl)cyanothioformamide
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2,6-Xylyl)cyanothioformamide. The TPSA of 67.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2,6-Xylyl)cyanothioformamide. Following Lipinski's Rule of Five, N-(2,6-Xylyl)cyanothioformamide has 1 hydrogen bond donor(s) and 2 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-(2,6-Xylyl)cyanothioformamide?
The CAS number of N-(2,6-Xylyl)cyanothioformamide is 115717-31-2.
What is the molecular formula of N-(2,6-Xylyl)cyanothioformamide?
The molecular formula of N-(2,6-Xylyl)cyanothioformamide is C10H10N2S.
What is the molecular weight of N-(2,6-Xylyl)cyanothioformamide?
The molecular weight of N-(2,6-Xylyl)cyanothioformamide is 190.05647 g/mol.
Where can I buy N-(2,6-Xylyl)cyanothioformamide?
You can request a quote for N-(2,6-Xylyl)cyanothioformamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(2,6-Xylyl)cyanothioformamide?
Yes, CoreyChem provides custom synthesis services for N-(2,6-Xylyl)cyanothioformamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.