N-(pyrimidin-2-ylsulfanylmethyl)benzamide
TL;DR: N-(pyrimidin-2-ylsulfanylmethyl)benzamide (CAS 162331-12-6) is a chemical compound with molecular formula C12H11N3OS and molecular weight 245.06229 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(pyrimidin-2-ylsulfanylmethyl)benzamide
Also Known As: N-(pyrimidin-2-ylsulfanylmethyl)benzamide, IFLab1_000111, N-((pyrimidin-2-ylthio)methyl)benzamide, IDI1_008330, phenyl-N-(pyrimidin-2-ylthiomethyl)carboxamide
Technical Specifications
| Molecular Formula | C12H11N3OS |
| Molecular Weight | 245.06229 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 80.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 245.06229 Da |
| Heavy Atoms | 17 |
| Complexity | 238.0 |
| SMILES | C1=CC=C(C=C1)C(=O)NCSC2=NC=CC=N2 |
| InChIKey | IIZLKSFIDMIPHA-UHFFFAOYSA-N |
Chemical Property Profile of N-(pyrimidin-2-ylsulfanylmethyl)benzamide
Property Insights of N-(pyrimidin-2-ylsulfanylmethyl)benzamide
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(pyrimidin-2-ylsulfanylmethyl)benzamide. The TPSA of 80.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(pyrimidin-2-ylsulfanylmethyl)benzamide. Following Lipinski's Rule of Five, N-(pyrimidin-2-ylsulfanylmethyl)benzamide 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-(pyrimidin-2-ylsulfanylmethyl)benzamide?
The CAS number of N-(pyrimidin-2-ylsulfanylmethyl)benzamide is 162331-12-6.
What is the molecular formula of N-(pyrimidin-2-ylsulfanylmethyl)benzamide?
The molecular formula of N-(pyrimidin-2-ylsulfanylmethyl)benzamide is C12H11N3OS.
What is the molecular weight of N-(pyrimidin-2-ylsulfanylmethyl)benzamide?
The molecular weight of N-(pyrimidin-2-ylsulfanylmethyl)benzamide is 245.06229 g/mol.
Where can I buy N-(pyrimidin-2-ylsulfanylmethyl)benzamide?
You can request a quote for N-(pyrimidin-2-ylsulfanylmethyl)benzamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(pyrimidin-2-ylsulfanylmethyl)benzamide?
Yes, CoreyChem provides custom synthesis services for N-(pyrimidin-2-ylsulfanylmethyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.