2-(4-Chlorophenyl)-2-(pyrimidin-2-yl)ethanimidothioic acid
TL;DR: 2-(4-Chlorophenyl)-2-(pyrimidin-2-yl)ethanimidothioic acid (CAS 32081-49-5) is a chemical compound with molecular formula C12H10ClN3S and molecular weight 263.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-2-pyrimidin-2-ylethanethioamide
Also Known As: alpha-(p-Chlorophenyl)thio-2-pyrimidineacetamide, 2-Pyrimidineacetamide, alpha-(p-chlorophenyl)thio-, 5-25-05-00012 (Beilstein Handbook Reference), 2-Pyrimidineethanethioamide, alpha-(4-chlorophenyl)-, 2-(4-chlorophenyl)-2-pyrimidin-2-ylethanethioamide
| Molecular Formula | C12H10ClN3S |
|---|---|
| Molecular Weight | 263.03 g/mol |
| LogP | 2.548 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 263.02838 |
| Heavy Atoms | 17 |
| Complexity | 513.03375 |
Chemical Identifiers
| CAS Number | 32081-49-5 |
|---|---|
| SMILES | C1=CN=C(N=C1)C(C2=CC=C(C=C2)Cl)C(=S)N |
Product Overview
2-(4-Chlorophenyl)-2-(pyrimidin-2-yl)ethanimidothioic acid (CAS 32081-49-5), with molecular formula C12H10ClN3S and molecular weight 263.03 g/mol. IUPAC: 2-(4-chlorophenyl)-2-pyrimidin-2-ylethanethioamide.
Chemical Property Profile of 2-(4-Chlorophenyl)-2-(pyrimidin-2-yl)ethanimidothioic acid
Property Insights of 2-(4-Chlorophenyl)-2-(pyrimidin-2-yl)ethanimidothioic acid
The XLogP value of 2.548 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Chlorophenyl)-2-(pyrimidin-2-yl)ethanimidothioic acid. With a topological polar surface area (TPSA) of 51.8 Ų, 2-(4-Chlorophenyl)-2-(pyrimidin-2-yl)ethanimidothioic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Chlorophenyl)-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-(4-Chlorophenyl)-2-(pyrimidin-2-yl)ethanimidothioic acid?
The CAS number of 2-(4-Chlorophenyl)-2-(pyrimidin-2-yl)ethanimidothioic acid is 32081-49-5.
What is the molecular formula of 2-(4-Chlorophenyl)-2-(pyrimidin-2-yl)ethanimidothioic acid?
The molecular formula of 2-(4-Chlorophenyl)-2-(pyrimidin-2-yl)ethanimidothioic acid is C12H10ClN3S.
What is the molecular weight of 2-(4-Chlorophenyl)-2-(pyrimidin-2-yl)ethanimidothioic acid?
The molecular weight of 2-(4-Chlorophenyl)-2-(pyrimidin-2-yl)ethanimidothioic acid is 263.03 g/mol.
Where can I buy 2-(4-Chlorophenyl)-2-(pyrimidin-2-yl)ethanimidothioic acid?
You can request a quote for 2-(4-Chlorophenyl)-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-(4-Chlorophenyl)-2-(pyrimidin-2-yl)ethanimidothioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chlorophenyl)-2-(pyrimidin-2-yl)ethanimidothioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.