2-(4-Nitrophenylthio)pyrimidine
TL;DR: 2-(4-Nitrophenylthio)pyrimidine (CAS 19581-24-9) is a chemical compound with molecular formula C10H7N3O2S and molecular weight 233.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-nitrophenyl)sulfanylpyrimidine
Also Known As: 2-(4-Nitrophenylthio)pyrimidine, 2-[(4-Nitrophenyl)thio]pyrimidine, 2-(4-nitrophenyl)sulfanylpyrimidine, 2-((4-nitrophenyl)thio)pyrimidine, 2-[(4-nitrophenyl)sulfanyl]pyrimidine
| Molecular Formula | C10H7N3O2S |
|---|---|
| Molecular Weight | 233.03 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 96.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.0259 |
| Heavy Atoms | 16 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 19581-24-9 |
|---|---|
| SMILES | C1=CN=C(N=C1)SC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | VFZRGLKTZAKXCP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-Nitrophenylthio)pyrimidine (CAS 19581-24-9), with molecular formula C10H7N3O2S and molecular weight 233.03 g/mol. IUPAC: 2-(4-nitrophenyl)sulfanylpyrimidine.
Chemical Property Profile of 2-(4-Nitrophenylthio)pyrimidine
Property Insights of 2-(4-Nitrophenylthio)pyrimidine
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Nitrophenylthio)pyrimidine. The TPSA of 96.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Nitrophenylthio)pyrimidine. Following Lipinski's Rule of Five, 2-(4-Nitrophenylthio)pyrimidine has 0 hydrogen bond donor(s) and 5 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-Nitrophenylthio)pyrimidine?
The CAS number of 2-(4-Nitrophenylthio)pyrimidine is 19581-24-9.
What is the molecular formula of 2-(4-Nitrophenylthio)pyrimidine?
The molecular formula of 2-(4-Nitrophenylthio)pyrimidine is C10H7N3O2S.
What is the molecular weight of 2-(4-Nitrophenylthio)pyrimidine?
The molecular weight of 2-(4-Nitrophenylthio)pyrimidine is 233.03 g/mol.
Where can I buy 2-(4-Nitrophenylthio)pyrimidine?
You can request a quote for 2-(4-Nitrophenylthio)pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Nitrophenylthio)pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Nitrophenylthio)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.