4,6-Dimethyl-2-({2,4,6-trisnitrophenyl}sulfanyl)pyrimidine
TL;DR: 4,6-Dimethyl-2-({2,4,6-trisnitrophenyl}sulfanyl)pyrimidine (CAS 331967-11-4) is a chemical compound with molecular formula C12H9N5O6S and molecular weight 351.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dimethyl-2-(2,4,6-trinitrophenyl)sulfanylpyrimidine
Also Known As: BAS 00703321, 4,6-dimethyl-2-({2,4,6-trisnitrophenyl}sulfanyl)pyrimidine, 4,6-dimethyl-2-(2,4,6-trinitrophenyl)sulfanylpyrimidine, 4,6-Dimethyl-2-(2,4,6-trinitro-phenylsulfanyl)-pyrimidine
| Molecular Formula | C12H9N5O6S |
|---|---|
| Molecular Weight | 351.03 g/mol |
| LogP | 2.96924 |
| Topological Polar Surface Area | 155.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 351.02734 |
| Heavy Atoms | 24 |
| Complexity | 815.7572 |
Chemical Identifiers
| CAS Number | 331967-11-4 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C |
Product Overview
4,6-Dimethyl-2-({2,4,6-trisnitrophenyl}sulfanyl)pyrimidine (CAS 331967-11-4), with molecular formula C12H9N5O6S and molecular weight 351.03 g/mol. IUPAC: 4,6-dimethyl-2-(2,4,6-trinitrophenyl)sulfanylpyrimidine.
Chemical Property Profile of 4,6-Dimethyl-2-({2,4,6-trisnitrophenyl}sulfanyl)pyrimidine
Property Insights of 4,6-Dimethyl-2-({2,4,6-trisnitrophenyl}sulfanyl)pyrimidine
The XLogP value of 2.96924 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6-Dimethyl-2-({2,4,6-trisnitrophenyl}sulfanyl)pyrimidine. The TPSA of 155.2 Ų indicates high polarity, suggesting 4,6-Dimethyl-2-({2,4,6-trisnitrophenyl}sulfanyl)pyrimidine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4,6-Dimethyl-2-({2,4,6-trisnitrophenyl}sulfanyl)pyrimidine has 0 hydrogen bond donor(s) and 9 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-Dimethyl-2-({2,4,6-trisnitrophenyl}sulfanyl)pyrimidine?
The CAS number of 4,6-Dimethyl-2-({2,4,6-trisnitrophenyl}sulfanyl)pyrimidine is 331967-11-4.
What is the molecular formula of 4,6-Dimethyl-2-({2,4,6-trisnitrophenyl}sulfanyl)pyrimidine?
The molecular formula of 4,6-Dimethyl-2-({2,4,6-trisnitrophenyl}sulfanyl)pyrimidine is C12H9N5O6S.
What is the molecular weight of 4,6-Dimethyl-2-({2,4,6-trisnitrophenyl}sulfanyl)pyrimidine?
The molecular weight of 4,6-Dimethyl-2-({2,4,6-trisnitrophenyl}sulfanyl)pyrimidine is 351.03 g/mol.
Where can I buy 4,6-Dimethyl-2-({2,4,6-trisnitrophenyl}sulfanyl)pyrimidine?
You can request a quote for 4,6-Dimethyl-2-({2,4,6-trisnitrophenyl}sulfanyl)pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Dimethyl-2-({2,4,6-trisnitrophenyl}sulfanyl)pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Dimethyl-2-({2,4,6-trisnitrophenyl}sulfanyl)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.