4,6-Dimethylpyrimidin-2-yl thiocyanate
TL;DR: 4,6-Dimethylpyrimidin-2-yl thiocyanate (CAS 55055-25-9) is a chemical compound with molecular formula C7H7N3S and molecular weight 165.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4,6-dimethylpyrimidin-2-yl) thiocyanate
Also Known As: dimethyl-2-thiocyanopyrimidine, 4,6-Dimethyl-2-pyrimidinyl thiocyanate, 4,6-Dimethylpyrimidin-2-yl thiocyanate, 4,6-dimethyl-2-thiocyanatopyrimidine, (4,6-dimethylpyrimidin-2-yl) thiocyanate
| Molecular Formula | C7H7N3S |
|---|---|
| Molecular Weight | 165.04 g/mol |
| LogP | 1.66662 |
| Topological Polar Surface Area | 49.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 165.03607 |
| Heavy Atoms | 11 |
| Complexity | 282.79425 |
Chemical Identifiers
| CAS Number | 55055-25-9 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SC#N)C |
Product Overview
4,6-Dimethylpyrimidin-2-yl thiocyanate (CAS 55055-25-9), with molecular formula C7H7N3S and molecular weight 165.04 g/mol. IUPAC: (4,6-dimethylpyrimidin-2-yl) thiocyanate.
Chemical Property Profile of 4,6-Dimethylpyrimidin-2-yl thiocyanate
Property Insights of 4,6-Dimethylpyrimidin-2-yl thiocyanate
The XLogP value of 1.66662 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6-Dimethylpyrimidin-2-yl thiocyanate. With a topological polar surface area (TPSA) of 49.57 Ų, 4,6-Dimethylpyrimidin-2-yl thiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,6-Dimethylpyrimidin-2-yl thiocyanate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,6-Dimethylpyrimidin-2-yl thiocyanate?
The CAS number of 4,6-Dimethylpyrimidin-2-yl thiocyanate is 55055-25-9.
What is the molecular formula of 4,6-Dimethylpyrimidin-2-yl thiocyanate?
The molecular formula of 4,6-Dimethylpyrimidin-2-yl thiocyanate is C7H7N3S.
What is the molecular weight of 4,6-Dimethylpyrimidin-2-yl thiocyanate?
The molecular weight of 4,6-Dimethylpyrimidin-2-yl thiocyanate is 165.04 g/mol.
Where can I buy 4,6-Dimethylpyrimidin-2-yl thiocyanate?
You can request a quote for 4,6-Dimethylpyrimidin-2-yl thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Dimethylpyrimidin-2-yl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Dimethylpyrimidin-2-yl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.