4-Benzylsulfanylpyrimidin-2-amine
TL;DR: 4-Benzylsulfanylpyrimidin-2-amine (CAS 103989-49-7) is a chemical compound with molecular formula C11H11N3S and molecular weight 217.06737 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-benzylsulfanylpyrimidin-2-amine
Also Known As: 4-benzylsulfanyl-pyrimidin-2-ylamine, 4-benzylsulfanylpyrimidin-2-amine, 4-(benzylsulfanyl)pyrimidin-2-amine
Technical Specifications
| Molecular Formula | C11H11N3S |
| Molecular Weight | 217.06737 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 77.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.06737 Da |
| Heavy Atoms | 15 |
| Complexity | 183.0 |
| SMILES | C1=CC=C(C=C1)CSC2=NC(=NC=C2)N |
| InChIKey | AGQORXUJLZCLOM-UHFFFAOYSA-N |
Chemical Property Profile of 4-Benzylsulfanylpyrimidin-2-amine
Property Insights of 4-Benzylsulfanylpyrimidin-2-amine
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Benzylsulfanylpyrimidin-2-amine. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Benzylsulfanylpyrimidin-2-amine. Following Lipinski's Rule of Five, 4-Benzylsulfanylpyrimidin-2-amine 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 4-Benzylsulfanylpyrimidin-2-amine?
The CAS number of 4-Benzylsulfanylpyrimidin-2-amine is 103989-49-7.
What is the molecular formula of 4-Benzylsulfanylpyrimidin-2-amine?
The molecular formula of 4-Benzylsulfanylpyrimidin-2-amine is C11H11N3S.
What is the molecular weight of 4-Benzylsulfanylpyrimidin-2-amine?
The molecular weight of 4-Benzylsulfanylpyrimidin-2-amine is 217.06737 g/mol.
Where can I buy 4-Benzylsulfanylpyrimidin-2-amine?
You can request a quote for 4-Benzylsulfanylpyrimidin-2-amine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Benzylsulfanylpyrimidin-2-amine?
Yes, CoreyChem provides custom synthesis services for 4-Benzylsulfanylpyrimidin-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.