2-Phenyl-2-(pyrimidin-2-yl)ethanimidothioic acid
TL;DR: 2-Phenyl-2-(pyrimidin-2-yl)ethanimidothioic acid (CAS 32081-48-4) is a chemical compound with molecular formula C12H11N3S and molecular weight 229.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-2-pyrimidin-2-ylethanethioamide
Also Known As: alpha-Phenylthio-2-pyrimidineacetamide, 2-Pyrimidineacetamide, alpha-phenylthio-, 2-Pyrimidineethanethioamide, alpha-phenyl-, 2-phenyl-2-pyrimidin-2-ylethanethioamide, Phenyl(pyrimidin-2-yl)ethanimidothioic acid
| Molecular Formula | C12H11N3S |
|---|---|
| Molecular Weight | 229.07 g/mol |
| LogP | 1.8946 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 229.06737 |
| Heavy Atoms | 16 |
| Complexity | 430.63724 |
Chemical Identifiers
| CAS Number | 32081-48-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C2=NC=CC=N2)C(=S)N |
Product Overview
2-Phenyl-2-(pyrimidin-2-yl)ethanimidothioic acid (CAS 32081-48-4), with molecular formula C12H11N3S and molecular weight 229.07 g/mol. IUPAC: 2-phenyl-2-pyrimidin-2-ylethanethioamide.
Chemical Property Profile of 2-Phenyl-2-(pyrimidin-2-yl)ethanimidothioic acid
Property Insights of 2-Phenyl-2-(pyrimidin-2-yl)ethanimidothioic acid
The XLogP value of 1.8946 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Phenyl-2-(pyrimidin-2-yl)ethanimidothioic acid. With a topological polar surface area (TPSA) of 51.8 Ų, 2-Phenyl-2-(pyrimidin-2-yl)ethanimidothioic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenyl-2-(pyrimidin-2-yl)ethanimidothioic acid has 1 hydrogen bond donor(s) and 3 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 2-Phenyl-2-(pyrimidin-2-yl)ethanimidothioic acid?
The CAS number of 2-Phenyl-2-(pyrimidin-2-yl)ethanimidothioic acid is 32081-48-4.
What is the molecular formula of 2-Phenyl-2-(pyrimidin-2-yl)ethanimidothioic acid?
The molecular formula of 2-Phenyl-2-(pyrimidin-2-yl)ethanimidothioic acid is C12H11N3S.
What is the molecular weight of 2-Phenyl-2-(pyrimidin-2-yl)ethanimidothioic acid?
The molecular weight of 2-Phenyl-2-(pyrimidin-2-yl)ethanimidothioic acid is 229.07 g/mol.
Where can I buy 2-Phenyl-2-(pyrimidin-2-yl)ethanimidothioic acid?
You can request a quote for 2-Phenyl-2-(pyrimidin-2-yl)ethanimidothioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenyl-2-(pyrimidin-2-yl)ethanimidothioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenyl-2-(pyrimidin-2-yl)ethanimidothioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.