4-Methyl-6-phenyl-2-pyrimidinyl thiocyanate
TL;DR: 4-Methyl-6-phenyl-2-pyrimidinyl thiocyanate (CAS 55055-29-3) is a chemical compound with molecular formula C12H9N3S and molecular weight 227.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methyl-6-phenylpyrimidin-2-yl) thiocyanate
Also Known As: 4-methyl-6-phenyl-2-pyrimidinyl thiocyanate, 4-Methyl-6-phenyl-2-thiocyanatopyrimidine, 4-methyl-6-phenyl-2-thiocyanato-pyrimidine, (4-methyl-6-phenylpyrimidin-2-yl) thiocyanate, [(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl]formonitrile
| Molecular Formula | C12H9N3S |
|---|---|
| Molecular Weight | 227.05 g/mol |
| LogP | 3.0252 |
| Topological Polar Surface Area | 49.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.05171 |
| Heavy Atoms | 16 |
| Complexity | 531.70526 |
Chemical Identifiers
| CAS Number | 55055-29-3 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SC#N)C2=CC=CC=C2 |
Product Overview
4-Methyl-6-phenyl-2-pyrimidinyl thiocyanate (CAS 55055-29-3), with molecular formula C12H9N3S and molecular weight 227.05 g/mol. IUPAC: (4-methyl-6-phenylpyrimidin-2-yl) thiocyanate.
Chemical Property Profile of 4-Methyl-6-phenyl-2-pyrimidinyl thiocyanate
Property Insights of 4-Methyl-6-phenyl-2-pyrimidinyl thiocyanate
The XLogP value of 3.0252 indicates that 4-Methyl-6-phenyl-2-pyrimidinyl thiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.57 Ų, 4-Methyl-6-phenyl-2-pyrimidinyl thiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-6-phenyl-2-pyrimidinyl 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-Methyl-6-phenyl-2-pyrimidinyl thiocyanate?
The CAS number of 4-Methyl-6-phenyl-2-pyrimidinyl thiocyanate is 55055-29-3.
What is the molecular formula of 4-Methyl-6-phenyl-2-pyrimidinyl thiocyanate?
The molecular formula of 4-Methyl-6-phenyl-2-pyrimidinyl thiocyanate is C12H9N3S.
What is the molecular weight of 4-Methyl-6-phenyl-2-pyrimidinyl thiocyanate?
The molecular weight of 4-Methyl-6-phenyl-2-pyrimidinyl thiocyanate is 227.05 g/mol.
Where can I buy 4-Methyl-6-phenyl-2-pyrimidinyl thiocyanate?
You can request a quote for 4-Methyl-6-phenyl-2-pyrimidinyl thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-6-phenyl-2-pyrimidinyl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-6-phenyl-2-pyrimidinyl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.